 Entering Gaussian System, Link 0=g16
 Input=30_ibuprofen_conformer06_STD_wB97XD_def2SVPD.in
 Output=30_ibuprofen_conformer06_STD_wB97XD_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/30_conformer04/Gau-27597.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/30_conformer04/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     27616.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Sep-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=30_ibuprofen_conformer06_STD_wB97XD_def2SVPD
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Wed Sep  8 12:29:37 2021, MaxMem=  6442450944 cpu:               1.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "30_ibuprofen_conformer06_STD_wB97XD_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.736226000000     -0.365262000000     -1.272205000000
  C                                                 1.580407000000     -0.843892000000     -0.268944000000
  C                                                -0.631287000000     -0.249652000000     -1.070495000000
  C                                                -1.202033000000     -0.613612000000      0.148225000000
  C                                                -0.367697000000     -1.095463000000      1.151784000000
  C                                                 1.000381000000     -1.213316000000      0.943659000000
  C                                                 3.068617000000     -0.934244000000     -0.480851000000
  C                                                 3.864505000000      0.334941000000     -0.092392000000
  C                                                 3.754611000000      0.654693000000      1.397822000000
  C                                                 3.475770000000      1.545740000000     -0.939652000000
  C                                                -2.702771000000     -0.516689000000      0.368988000000
  C                                                -3.138269000000      0.918833000000      0.145133000000
  O                                                -3.559047000000      1.373836000000     -0.886855000000
  O                                                -2.970828000000      1.672405000000      1.255783000000
  H                                                 1.156867000000     -0.080316000000     -2.228675000000
  H                                                -1.260188000000      0.132647000000     -1.864576000000
  H                                                -0.792008000000     -1.385962000000      2.105337000000
  H                                                 1.627267000000     -1.599939000000      1.737720000000
  H                                                 3.268482000000     -1.153685000000     -1.532795000000
  H                                                 3.462957000000     -1.774242000000      0.096737000000
  H                                                 4.913285000000      0.101574000000     -0.306459000000
  H                                                 4.394928000000      1.499871000000      1.657871000000
  H                                                 4.056957000000     -0.196129000000      2.012581000000
  H                                                 2.730553000000      0.917518000000      1.669696000000
  H                                                 2.441497000000      1.841134000000     -0.753494000000
  H                                                 3.577595000000      1.336297000000     -2.006833000000
  H                                                 4.113060000000      2.400281000000     -0.703913000000
  H                                                -2.898442000000     -0.751368000000      1.416045000000
  C                                                -3.487164000000     -1.472476000000     -0.531817000000
  H                                                -3.218631000000      2.580750000000      1.021627000000
  H                                                -4.556603000000     -1.415011000000     -0.324547000000
  H                                                -3.151396000000     -2.495431000000     -0.362197000000
  H                                                -3.334967000000     -1.225513000000     -1.581072000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     33 NQM=       33 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          16          16           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  15.9949146  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   5.6000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   8.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1          12           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           0           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000

  Atom        31          32          33
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Wed Sep  8 12:29:38 2021, MaxMem=  6442450944 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.736226   -0.365262   -1.272205
      2          6           0        1.580407   -0.843892   -0.268944
      3          6           0       -0.631287   -0.249652   -1.070495
      4          6           0       -1.202033   -0.613612    0.148225
      5          6           0       -0.367697   -1.095463    1.151784
      6          6           0        1.000381   -1.213316    0.943659
      7          6           0        3.068617   -0.934244   -0.480851
      8          6           0        3.864505    0.334941   -0.092392
      9          6           0        3.754611    0.654693    1.397822
     10          6           0        3.475770    1.545740   -0.939652
     11          6           0       -2.702771   -0.516689    0.368988
     12          6           0       -3.138269    0.918833    0.145133
     13          8           0       -3.559047    1.373836   -0.886855
     14          8           0       -2.970828    1.672405    1.255783
     15          1           0        1.156867   -0.080316   -2.228675
     16          1           0       -1.260188    0.132647   -1.864576
     17          1           0       -0.792008   -1.385962    2.105337
     18          1           0        1.627267   -1.599939    1.737720
     19          1           0        3.268482   -1.153685   -1.532795
     20          1           0        3.462957   -1.774242    0.096737
     21          1           0        4.913285    0.101574   -0.306459
     22          1           0        4.394928    1.499871    1.657871
     23          1           0        4.056957   -0.196129    2.012581
     24          1           0        2.730553    0.917518    1.669696
     25          1           0        2.441497    1.841134   -0.753494
     26          1           0        3.577595    1.336297   -2.006833
     27          1           0        4.113060    2.400281   -0.703913
     28          1           0       -2.898442   -0.751368    1.416045
     29          6           0       -3.487164   -1.472476   -0.531817
     30          1           0       -3.218631    2.580750    1.021627
     31          1           0       -4.556603   -1.415011   -0.324547
     32          1           0       -3.151396   -2.495431   -0.362197
     33          1           0       -3.334967   -1.225513   -1.581072
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.395801   0.000000
     3  C    1.387135   2.426354   0.000000
     4  C    2.415812   2.822947   1.394093   0.000000
     5  C    2.761804   2.424225   2.392363   1.391196   0.000000
     6  C    2.387263   1.394027   2.765467   2.417227   1.388828
     7  C    2.527851   1.505934   3.808627   4.328625   3.807853
     8  C    3.415900   2.576416   4.637950   5.160180   4.637409
     9  C    4.156922   3.122664   5.113368   5.266727   4.485198
    10  C    3.356728   3.122914   4.484247   5.265750   5.110998
    11  C    3.813548   4.342768   2.536625   1.519982   2.529885
    12  C    4.320817   5.054163   3.021269   2.469293   3.570267
    13  O    4.649981   5.631529   3.352792   3.252208   4.520863
    14  O    4.927987   5.419436   3.818288   3.095350   3.801079
    15  H    1.083036   2.145456   2.137183   3.390939   3.844779
    16  H    2.141141   3.401272   1.082697   2.147476   3.376866
    17  H    3.845142   3.399912   3.376824   2.143579   1.083371
    18  H    3.373134   2.144878   3.848430   3.391795   2.139556
    19  H    2.664927   2.131405   4.029788   4.806559   4.520194
    20  H    3.360698   2.131494   4.522128   4.807478   4.030853
    21  H    4.312589   3.464591   5.607976   6.173762   5.607864
    22  H    5.044816   4.138523   5.980606   6.170236   5.447429
    23  H    4.673936   3.429031   5.611404   5.595274   4.596448
    24  H    3.778577   2.860721   4.491425   4.486030   3.730882
    25  H    2.836405   2.861054   3.730131   4.484884   4.488347
    26  H    3.392397   3.429613   4.594198   5.593859   5.608533
    27  H    4.401612   4.138621   5.446591   6.169271   5.978379
    28  H    4.537243   4.786213   3.402145   2.122298   2.567665
    29  C    4.428444   5.113169   3.153015   2.534152   3.564790
    30  H    5.438892   6.035272   4.368352   3.877299   4.653956
    31  H    5.478510   6.163778   4.162043   3.481220   4.452931
    32  H    4.525410   5.012608   3.449081   2.757134   3.464250
    33  H    4.172534   5.101786   2.919397   2.813236   4.036100
                    6          7          8          9         10
     6  C    0.000000
     7  C    2.526798   0.000000
     8  C    3.416681   1.547633   0.000000
     9  C    3.358795   2.554353   1.528089   0.000000
    10  C    4.157740   2.554720   1.528070   2.517042   0.000000
    11  C    3.811676   5.848547   6.638317   6.642922   6.643833
    12  C    4.723571   6.507779   7.031088   7.010763   6.731663
    13  O    5.552704   7.029794   7.537878   7.695876   7.037115
    14  O    4.918873   6.803338   7.094234   6.803488   6.811359
    15  H    3.372222   2.727429   3.473823   4.521061   3.111744
    16  H    3.848113   4.668137   5.426236   6.005329   5.028083
    17  H    2.142886   4.668709   5.429055   5.033547   6.006727
    18  H    1.083050   2.728131   3.478262   3.118411   4.525548
    19  H    3.358670   1.093017   2.155461   3.477796   2.771585
    20  H    2.663869   1.093027   2.155380   2.770850   3.478009
    21  H    4.313067   2.122765   1.095548   2.133785   2.133776
    22  H    4.403911   3.501164   2.168371   1.091768   2.755736
    23  H    3.394101   2.781876   2.179446   1.092355   3.476718
    24  H    2.839204   2.858000   2.174902   1.091644   2.785446
    25  H    3.779789   2.858380   2.175000   2.785690   1.091619
    26  H    4.674180   2.782631   2.179476   3.476722   1.092296
    27  H    5.045924   3.501382   2.168264   2.755513   1.091765
    28  H    3.954411   6.263980   7.013765   6.800033   7.173325
    29  C    4.730989   6.578036   7.583330   7.790485   7.599895
    30  H    5.674599   7.358132   7.513688   7.244123   7.052153
    31  H    5.703429   7.641960   8.604144   8.736504   8.582739
    32  H    4.537216   6.414043   7.570117   7.791911   7.783563
    33  H    5.016937   6.503938   7.515556   7.916508   7.380881
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.516738   0.000000
    13  O    2.425785   1.203778   0.000000
    14  O    2.377055   1.352572   2.241884   0.000000
    15  H    4.672802   5.008139   5.114185   5.679027   0.000000
    16  H    2.737059   2.860805   2.789488   3.877342   2.453584
    17  H    2.724254   3.828762   4.922012   3.850014   4.928132
    18  H    4.668628   5.620576   6.529134   5.664184   4.273502
    19  H    6.299080   6.939541   7.308950   7.395400   2.468864
    20  H    6.298552   7.129599   7.757989   7.390288   3.687137
    21  H    7.670905   8.105515   8.586962   8.189466   4.223586
    22  H    7.490331   7.705520   8.352080   7.378740   5.299742
    23  H    6.964056   7.516767   8.299099   7.311219   5.139279
    24  H    5.767998   6.063610   6.804649   5.766015   4.320817
    25  H    5.769124   5.726426   6.020189   5.775719   2.741971
    26  H    6.965707   7.064564   7.224086   7.323898   2.813526
    27  H    7.491020   7.449654   7.742628   7.385911   4.149378
    28  H    1.090729   2.112417   3.202536   2.430144   5.493617
    29  C    1.529788   2.509651   2.869270   3.654093   5.136581
    30  H    3.207207   1.880603   2.283600   0.970220   6.065535
    31  H    2.173630   2.771119   3.014793   3.813694   6.168537
    32  H    2.156691   3.451776   3.925898   4.474519   5.279929
    33  H    2.169064   2.759836   2.699771   4.071642   4.680538
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.276164   0.000000
    18  H    4.931104   2.456384   0.000000
    19  H    4.719489   5.456880   3.686326   0.000000
    20  H    5.458120   4.721225   2.468393   1.754505   0.000000
    21  H    6.367139   6.370235   4.227497   2.405193   2.405141
    22  H    6.801270   5.952526   4.156338   4.300069   3.745067
    23  H    6.588814   4.993673   2.819508   3.756101   2.552202
    24  H    5.388239   4.231340   2.749447   3.851649   3.202528
    25  H    4.225625   5.389120   4.325517   3.203148   3.851911
    26  H    4.987299   6.588935   5.142659   2.553483   3.756807
    27  H    5.946520   6.803471   5.304950   3.745802   4.300037
    28  H    3.771980   2.305406   4.615798   6.847515   6.576796
    29  C    3.051571   3.771728   5.596825   6.836837   6.985007
    30  H    4.261323   4.774697   6.440006   7.909090   8.029010
    31  H    3.953895   4.480776   6.521303   7.922128   8.038649
    32  H    3.569398   3.589757   5.295959   6.662238   6.669363
    33  H    2.495933   4.481294   5.981500   6.604016   7.023384
                   21         22         23         24         25
    21  H    0.000000
    22  H    2.466277   0.000000
    23  H    2.489954   1.765350   0.000000
    24  H    3.055368   1.763354   1.765539   0.000000
    25  H    3.055429   3.122024   3.796225   2.609304   0.000000
    26  H    2.489956   3.758303   4.328257   3.796014   1.765344
    27  H    2.466249   2.543268   3.758169   3.121527   1.763300
    28  H    8.044726   7.636740   7.002979   5.876658   6.320041
    29  C    8.549618   8.703847   8.063299   7.015607   6.795452
    30  H    8.604544   7.716177   7.850301   6.211210   5.977887
    31  H    9.590575   9.620625   9.007844   7.906980   7.730451
    32  H    8.472699   8.774401   7.930114   7.097474   7.087973
    33  H    8.451003   8.813044   8.283388   7.207677   6.592173
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.765329   0.000000
    28  H    7.616659   7.974226   0.000000
    29  C    7.744398   8.531780   2.158879   0.000000
    30  H    7.543800   7.534172   3.370623   4.349016   0.000000
    31  H    8.750141   9.479632   2.493909   1.090854   4.423625
    32  H    7.916204   8.766817   2.503575   1.089930   5.261854
    33  H    7.384284   8.330000   3.065628   1.088619   4.612506
                   31         32         33
    31  H    0.000000
    32  H    1.772944   0.000000
    33  H    1.762714   1.769759   0.000000
 Stoichiometry    C13H18O2
 Framework group  C1[X(C13H18O2)]
 Deg. of freedom    93
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 7.94D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.736226   -0.365262   -1.272205
      2          6           0        1.580407   -0.843892   -0.268944
      3          6           0       -0.631287   -0.249652   -1.070495
      4          6           0       -1.202033   -0.613612    0.148225
      5          6           0       -0.367697   -1.095463    1.151784
      6          6           0        1.000381   -1.213316    0.943659
      7          6           0        3.068617   -0.934244   -0.480851
      8          6           0        3.864505    0.334941   -0.092392
      9          6           0        3.754611    0.654693    1.397822
     10          6           0        3.475770    1.545740   -0.939652
     11          6           0       -2.702771   -0.516689    0.368988
     12          6           0       -3.138269    0.918833    0.145133
     13          8           0       -3.559047    1.373836   -0.886855
     14          8           0       -2.970828    1.672405    1.255783
     15          1           0        1.156867   -0.080316   -2.228675
     16          1           0       -1.260188    0.132647   -1.864576
     17          1           0       -0.792008   -1.385962    2.105337
     18          1           0        1.627267   -1.599939    1.737720
     19          1           0        3.268482   -1.153685   -1.532795
     20          1           0        3.462957   -1.774242    0.096737
     21          1           0        4.913285    0.101574   -0.306459
     22          1           0        4.394928    1.499871    1.657871
     23          1           0        4.056957   -0.196129    2.012581
     24          1           0        2.730553    0.917518    1.669696
     25          1           0        2.441497    1.841134   -0.753494
     26          1           0        3.577595    1.336297   -2.006833
     27          1           0        4.113060    2.400281   -0.703913
     28          1           0       -2.898442   -0.751368    1.416045
     29          6           0       -3.487164   -1.472476   -0.531817
     30          1           0       -3.218631    2.580750    1.021627
     31          1           0       -4.556603   -1.415011   -0.324547
     32          1           0       -3.151396   -2.495431   -0.362197
     33          1           0       -3.334967   -1.225513   -1.581072
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.1831818           0.2892133           0.2785107
 Leave Link  202 at Wed Sep  8 12:29:38 2021, MaxMem=  6442450944 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      15     16     17     18     19     20     21     22     23     24
 Centers:      25     26     27     28     30     31     32     33
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     10
 Centers:      11     12     29
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      13     14
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   480 symmetry adapted cartesian basis functions of A   symmetry.
 There are   450 symmetry adapted basis functions of A   symmetry.
   450 basis functions,   666 primitive gaussians,   480 cartesian basis functions
    56 alpha electrons       56 beta electrons
       nuclear repulsion energy       984.3576103471 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   33 NActive=   33 NUniq=   33 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0249740735 Hartrees.
 Nuclear repulsion after empirical dispersion term =      984.3326362736 Hartrees.
 Leave Link  301 at Wed Sep  8 12:29:39 2021, MaxMem=  6442450944 cpu:               7.1 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   450 RedAO= T EigKep=  3.86D-06  NBF=   450
 NBsUse=   450 1.00D-06 EigRej= -1.00D+00 NBFU=   450
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   478   478   478   478   478 MxSgAt=    33 MxSgA2=    33.
 Leave Link  302 at Wed Sep  8 12:29:41 2021, MaxMem=  6442450944 cpu:               7.7 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Wed Sep  8 12:29:41 2021, MaxMem=  6442450944 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "30_ibuprofen_conformer06_STD_wB97XD_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Wed Sep  8 12:29:43 2021, MaxMem=  6442450944 cpu:               7.7 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6441981585 LenY=  6441750705
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -656.060650349927    
 DIIS: error= 2.69D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -656.060650349927     IErMin= 1 ErrMin= 2.69D-03
 ErrMax= 2.69D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.59D-02 BMatP= 1.59D-02
 IDIUse=3 WtCom= 9.73D-01 WtEn= 2.69D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.364 Goal=   None    Shift=    0.000
 GapD=    0.364 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=8.18D-03 MaxDP=3.96D-01              OVMax= 1.30D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  7.66D-03    CP:  1.08D+00
 E= -656.073437179686     Delta-E=       -0.012786829759 Rises=F Damp=F
 DIIS: error= 6.27D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -656.073437179686     IErMin= 2 ErrMin= 6.27D-04
 ErrMax= 6.27D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.39D-04 BMatP= 1.59D-02
 IDIUse=3 WtCom= 9.94D-01 WtEn= 6.27D-03
 Coeff-Com: -0.195D-01 0.102D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.193D-01 0.102D+01
 Gap=     0.362 Goal=   None    Shift=    0.000
 RMSDP=1.52D-03 MaxDP=7.01D-02 DE=-1.28D-02 OVMax= 6.60D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  6.16D-04    CP:  1.11D+00  1.09D+00
 E= -656.073870104885     Delta-E=       -0.000432925198 Rises=F Damp=F
 DIIS: error= 4.86D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -656.073870104885     IErMin= 3 ErrMin= 4.86D-04
 ErrMax= 4.86D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.04D-04 BMatP= 4.39D-04
 IDIUse=3 WtCom= 9.95D-01 WtEn= 4.86D-03
 Coeff-Com: -0.436D-01 0.465D+00 0.578D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.434D-01 0.463D+00 0.581D+00
 Gap=     0.363 Goal=   None    Shift=    0.000
 RMSDP=1.11D-04 MaxDP=4.31D-03 DE=-4.33D-04 OVMax= 2.44D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  9.41D-05    CP:  1.11D+00  1.10D+00  1.02D+00
 E= -656.074083696459     Delta-E=       -0.000213591574 Rises=F Damp=F
 DIIS: error= 9.71D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -656.074083696459     IErMin= 4 ErrMin= 9.71D-05
 ErrMax= 9.71D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.41D-06 BMatP= 3.04D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.117D-01 0.615D-01 0.150D+00 0.800D+00
 Coeff:     -0.117D-01 0.615D-01 0.150D+00 0.800D+00
 Gap=     0.363 Goal=   None    Shift=    0.000
 RMSDP=4.20D-05 MaxDP=2.18D-03 DE=-2.14D-04 OVMax= 6.98D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.17D-05    CP:  1.11D+00  1.10D+00  1.06D+00  1.18D+00
 E= -656.074091867017     Delta-E=       -0.000008170558 Rises=F Damp=F
 DIIS: error= 5.07D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -656.074091867017     IErMin= 5 ErrMin= 5.07D-05
 ErrMax= 5.07D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.95D-06 BMatP= 9.41D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.118D-02-0.342D-01-0.281D-01 0.306D+00 0.755D+00
 Coeff:      0.118D-02-0.342D-01-0.281D-01 0.306D+00 0.755D+00
 Gap=     0.363 Goal=   None    Shift=    0.000
 RMSDP=2.30D-05 MaxDP=9.75D-04 DE=-8.17D-06 OVMax= 3.00D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.20D-05    CP:  1.11D+00  1.10D+00  1.08D+00  1.17D+00  9.77D-01
 E= -656.074093758057     Delta-E=       -0.000001891039 Rises=F Damp=F
 DIIS: error= 1.19D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -656.074093758057     IErMin= 6 ErrMin= 1.19D-05
 ErrMax= 1.19D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.02D-07 BMatP= 1.95D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.906D-03-0.151D-01-0.165D-01 0.762D-01 0.274D+00 0.680D+00
 Coeff:      0.906D-03-0.151D-01-0.165D-01 0.762D-01 0.274D+00 0.680D+00
 Gap=     0.363 Goal=   None    Shift=    0.000
 RMSDP=5.03D-06 MaxDP=2.45D-04 DE=-1.89D-06 OVMax= 9.08D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.40D-06    CP:  1.11D+00  1.10D+00  1.08D+00  1.18D+00  1.01D+00
                    CP:  9.57D-01
 E= -656.074093846659     Delta-E=       -0.000000088602 Rises=F Damp=F
 DIIS: error= 4.36D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -656.074093846659     IErMin= 7 ErrMin= 4.36D-06
 ErrMax= 4.36D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.28D-08 BMatP= 1.02D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.297D-03-0.312D-02-0.453D-02-0.165D-02 0.398D-01 0.330D+00
 Coeff-Com:  0.640D+00
 Coeff:      0.297D-03-0.312D-02-0.453D-02-0.165D-02 0.398D-01 0.330D+00
 Coeff:      0.640D+00
 Gap=     0.363 Goal=   None    Shift=    0.000
 RMSDP=1.81D-06 MaxDP=9.32D-05 DE=-8.86D-08 OVMax= 6.57D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.21D-06    CP:  1.11D+00  1.10D+00  1.08D+00  1.18D+00  1.01D+00
                    CP:  1.00D+00  1.06D+00
 E= -656.074093869145     Delta-E=       -0.000000022486 Rises=F Damp=F
 DIIS: error= 1.76D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -656.074093869145     IErMin= 8 ErrMin= 1.76D-06
 ErrMax= 1.76D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.55D-09 BMatP= 2.28D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.348D-04 0.132D-02 0.113D-02-0.127D-01-0.295D-01-0.729D-02
 Coeff-Com:  0.243D+00 0.804D+00
 Coeff:     -0.348D-04 0.132D-02 0.113D-02-0.127D-01-0.295D-01-0.729D-02
 Coeff:      0.243D+00 0.804D+00
 Gap=     0.363 Goal=   None    Shift=    0.000
 RMSDP=1.05D-06 MaxDP=4.21D-05 DE=-2.25D-08 OVMax= 2.21D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  4.37D-07    CP:  1.11D+00  1.10D+00  1.08D+00  1.18D+00  1.02D+00
                    CP:  1.03D+00  1.11D+00  1.04D+00
 E= -656.074093871903     Delta-E=       -0.000000002758 Rises=F Damp=F
 DIIS: error= 3.57D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -656.074093871903     IErMin= 9 ErrMin= 3.57D-07
 ErrMax= 3.57D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.08D-10 BMatP= 2.55D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.484D-04 0.931D-03 0.986D-03-0.569D-02-0.174D-01-0.415D-01
 Coeff-Com:  0.470D-01 0.345D+00 0.671D+00
 Coeff:     -0.484D-04 0.931D-03 0.986D-03-0.569D-02-0.174D-01-0.415D-01
 Coeff:      0.470D-01 0.345D+00 0.671D+00
 Gap=     0.363 Goal=   None    Shift=    0.000
 RMSDP=2.19D-07 MaxDP=9.25D-06 DE=-2.76D-09 OVMax= 7.86D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.43D-07    CP:  1.11D+00  1.10D+00  1.08D+00  1.18D+00  1.02D+00
                    CP:  1.03D+00  1.15D+00  1.00D+00  1.05D+00
 E= -656.074093872326     Delta-E=       -0.000000000423 Rises=F Damp=F
 DIIS: error= 1.47D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -656.074093872326     IErMin=10 ErrMin= 1.47D-07
 ErrMax= 1.47D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.04D-11 BMatP= 3.08D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.126D-04 0.164D-03 0.191D-03-0.457D-03-0.231D-02-0.139D-01
 Coeff-Com: -0.997D-02 0.116D-01 0.230D+00 0.785D+00
 Coeff:     -0.126D-04 0.164D-03 0.191D-03-0.457D-03-0.231D-02-0.139D-01
 Coeff:     -0.997D-02 0.116D-01 0.230D+00 0.785D+00
 Gap=     0.363 Goal=   None    Shift=    0.000
 RMSDP=7.92D-08 MaxDP=3.06D-06 DE=-4.23D-10 OVMax= 2.87D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  6.28D-08    CP:  1.11D+00  1.10D+00  1.08D+00  1.18D+00  1.02D+00
                    CP:  1.03D+00  1.15D+00  1.03D+00  1.09D+00  1.05D+00
 E= -656.074093872364     Delta-E=       -0.000000000038 Rises=F Damp=F
 DIIS: error= 5.32D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -656.074093872364     IErMin=11 ErrMin= 5.32D-08
 ErrMax= 5.32D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.15D-12 BMatP= 3.04D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.259D-05-0.807D-04-0.824D-04 0.706D-03 0.187D-02 0.116D-02
 Coeff-Com: -0.929D-02-0.512D-01-0.139D-01 0.285D+00 0.786D+00
 Coeff:      0.259D-05-0.807D-04-0.824D-04 0.706D-03 0.187D-02 0.116D-02
 Coeff:     -0.929D-02-0.512D-01-0.139D-01 0.285D+00 0.786D+00
 Gap=     0.363 Goal=   None    Shift=    0.000
 RMSDP=3.18D-08 MaxDP=1.85D-06 DE=-3.80D-11 OVMax= 1.10D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  2.11D-08    CP:  1.11D+00  1.10D+00  1.08D+00  1.18D+00  1.02D+00
                    CP:  1.03D+00  1.15D+00  1.02D+00  1.12D+00  1.07D+00
                    CP:  9.40D-01
 E= -656.074093872461     Delta-E=       -0.000000000098 Rises=F Damp=F
 DIIS: error= 1.48D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -656.074093872461     IErMin=12 ErrMin= 1.48D-08
 ErrMax= 1.48D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.32D-13 BMatP= 4.15D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.213D-05-0.442D-04-0.469D-04 0.286D-03 0.868D-03 0.176D-02
 Coeff-Com: -0.157D-02-0.186D-01-0.274D-01 0.105D-01 0.264D+00 0.770D+00
 Coeff:      0.213D-05-0.442D-04-0.469D-04 0.286D-03 0.868D-03 0.176D-02
 Coeff:     -0.157D-02-0.186D-01-0.274D-01 0.105D-01 0.264D+00 0.770D+00
 Gap=     0.363 Goal=   None    Shift=    0.000
 RMSDP=1.16D-08 MaxDP=3.76D-07 DE=-9.78D-11 OVMax= 4.25D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  8.61D-09    CP:  1.11D+00  1.10D+00  1.08D+00  1.18D+00  1.02D+00
                    CP:  1.03D+00  1.15D+00  1.02D+00  1.12D+00  1.08D+00
                    CP:  1.00D+00  1.06D+00
 E= -656.074093872380     Delta-E=        0.000000000081 Rises=F Damp=F
 DIIS: error= 5.79D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -656.074093872461     IErMin=13 ErrMin= 5.79D-09
 ErrMax= 5.79D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.38D-14 BMatP= 4.32D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.216D-06-0.248D-06-0.203D-06-0.254D-04-0.406D-04 0.230D-03
 Coeff-Com:  0.987D-03 0.243D-02-0.455D-02-0.383D-01-0.480D-01 0.181D+00
 Coeff-Com:  0.906D+00
 Coeff:      0.216D-06-0.248D-06-0.203D-06-0.254D-04-0.406D-04 0.230D-03
 Coeff:      0.987D-03 0.243D-02-0.455D-02-0.383D-01-0.480D-01 0.181D+00
 Coeff:      0.906D+00
 Gap=     0.363 Goal=   None    Shift=    0.000
 RMSDP=4.30D-09 MaxDP=1.84D-07 DE= 8.12D-11 OVMax= 2.12D-07

 SCF Done:  E(RwB97XD) =  -656.074093872     A.U. after   13 cycles
            NFock= 13  Conv=0.43D-08     -V/T= 2.0113
 KE= 6.487228979953D+02 PE=-3.491111962972D+03 EE= 1.201982334831D+03
 Leave Link  502 at Wed Sep  8 12:38:20 2021, MaxMem=  6442450944 cpu:            4131.6 elap:             516.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   450
 NBasis=   450 NAE=    56 NBE=    56 NFC=     0 NFV=     0
 NROrb=    450 NOA=    56 NOB=    56 NVA=   394 NVB=   394

 **** Warning!!: The largest alpha MO coefficient is  0.67785218D+02

 Leave Link  801 at Wed Sep  8 12:38:21 2021, MaxMem=  6442450944 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
        10031 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          33
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 3.68D-13 8.33D-09 XBig12= 1.00D+00 4.38D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 3.68D-13 8.33D-09 XBig12= 2.04D-01 7.90D-02.
     11 vectors produced by pass  2 Test12= 3.68D-13 8.33D-09 XBig12= 4.61D-02 9.50D-02.
     11 vectors produced by pass  3 Test12= 3.68D-13 8.33D-09 XBig12= 5.87D-03 2.53D-02.
     11 vectors produced by pass  4 Test12= 3.68D-13 8.33D-09 XBig12= 7.38D-04 7.90D-03.
     11 vectors produced by pass  5 Test12= 3.68D-13 8.33D-09 XBig12= 7.43D-05 1.63D-03.
     11 vectors produced by pass  6 Test12= 3.68D-13 8.33D-09 XBig12= 4.56D-06 2.70D-04.
     11 vectors produced by pass  7 Test12= 3.68D-13 8.33D-09 XBig12= 2.18D-07 6.07D-05.
     11 vectors produced by pass  8 Test12= 3.68D-13 8.33D-09 XBig12= 5.94D-09 1.32D-05.
     11 vectors produced by pass  9 Test12= 3.68D-13 8.33D-09 XBig12= 1.85D-10 2.34D-06.
     11 vectors produced by pass 10 Test12= 3.68D-13 8.33D-09 XBig12= 7.13D-12 3.73D-07.
      8 vectors produced by pass 11 Test12= 3.68D-13 8.33D-09 XBig12= 3.12D-13 6.12D-08.
      2 vectors produced by pass 12 Test12= 3.68D-13 8.33D-09 XBig12= 3.15D-14 1.54D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 5.68D-14
 Solved reduced A of dimension   131 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.207369D+03
      2 -0.113454D+01  0.136014D+03
      3  0.170367D+01 -0.783703D+01  0.151684D+03
 Isotropic polarizability for W=    0.088559      165.02 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.151688D+03  0.499114D+02 -0.242718D+02
      2  -0.857354D+02 -0.296186D+02  0.353925D+02
      3  -0.659523D+02 -0.202927D+02 -0.111207D+02
      4  -0.310222D+02  0.667313D+02 -0.153846D+02
      5  -0.276114D+02 -0.221304D+02  0.105499D+03
      6   0.159397D+01  0.197421D+02 -0.289960D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.100328D+02 -0.786428D+01  0.227531D+02
      2   0.244456D+01 -0.725486D+01  0.474925D+02
      3  -0.111326D+03 -0.330819D+02  0.138101D+02
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.674582D+01 -0.156503D+02  0.870328D+01
      2   0.333961D+01 -0.169785D+02  0.171452D+03
      3  -0.809335D+02 -0.152467D+03  0.237243D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.159118D+01 -0.183913D+00  0.131144D+02
      2  -0.183913D+00 -0.235599D+01 -0.122952D+01
      3   0.131144D+02 -0.122952D+01 -0.271276D+01
 OR G Eigenvalues:   -13.9087    -2.3558    12.7870  Iso=     1.1592
 Eigenvectors:
   (1)  -0.643805   0.070838   0.761904
   (2)   0.092957   0.995571  -0.014016
   (3)   0.759522  -0.061801   0.647539
 w=    0.088559 a.u., Optical Rotation Beta=      1.1592 au.
 Molar Mass =    206.2840 grams/mole, [Alpha] ( 5145.0 A) =      284.95 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  101475 ScalPx= 4.50D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  101475 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.12D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 6.13D-14 2.78D-09 XBig12= 1.00D+00 4.15D-01.
     30 vectors produced by pass  1 Test12= 6.13D-14 2.78D-09 XBig12= 5.21D-02 4.25D-02.
     30 vectors produced by pass  2 Test12= 6.13D-14 2.78D-09 XBig12= 3.34D-03 1.08D-02.
     30 vectors produced by pass  3 Test12= 6.13D-14 2.78D-09 XBig12= 7.10D-05 1.46D-03.
     30 vectors produced by pass  4 Test12= 6.13D-14 2.78D-09 XBig12= 1.94D-06 1.81D-04.
     30 vectors produced by pass  5 Test12= 6.13D-14 2.78D-09 XBig12= 3.34D-08 2.33D-05.
     30 vectors produced by pass  6 Test12= 6.13D-14 2.78D-09 XBig12= 3.70D-10 2.01D-06.
     30 vectors produced by pass  7 Test12= 6.13D-14 2.78D-09 XBig12= 4.61D-12 2.41D-07.
     30 vectors produced by pass  8 Test12= 6.13D-14 2.78D-09 XBig12= 5.14D-14 2.62D-08.
      5 vectors produced by pass  9 Test12= 6.13D-14 2.78D-09 XBig12= 1.52D-14 1.57D-08.
      1 vectors produced by pass 10 Test12= 6.13D-14 2.78D-09 XBig12= 7.33D-15 6.32D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 3.22D-15
 Solved reduced A of dimension   276 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  101475 ScalPx= 2.05D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  101475 ScalPx= 2.05D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  101475 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.68D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.207369D+03 -0.113454D+01  0.170367D+01
      2  -0.113454D+01  0.136014D+03 -0.783703D+01
      3   0.170367D+01 -0.783703D+01  0.151684D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.100328D+02 -0.786428D+01  0.227531D+02
      2   0.244456D+01 -0.725486D+01  0.474925D+02
      3  -0.111326D+03 -0.330819D+02  0.138101D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.151688D+03  0.499114D+02 -0.242718D+02
      2  -0.857354D+02 -0.296186D+02  0.353925D+02
      3  -0.659523D+02 -0.202927D+02 -0.111207D+02
      4  -0.310222D+02  0.667313D+02 -0.153846D+02
      5  -0.276114D+02 -0.221304D+02  0.105499D+03
      6   0.159397D+01  0.197421D+02 -0.289960D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.110021D+02  0.206001D-02  0.693420D+00  0.531232D+01  0.196115D+01
      2   0.206001D-02  0.884096D+00 -0.146729D+00  0.196115D+01  0.173611D+01
      3   0.693420D+00 -0.146729D+00  0.112525D+01 -0.489199D+00 -0.275246D+01
                 6             7             8             9            10 
      1  -0.489199D+00 -0.921011D+01  0.298465D+00 -0.132485D+00  0.288788D+02
      2  -0.275246D+01  0.298465D+00 -0.118367D+01 -0.904802D+00  0.158904D+01
      3  -0.221242D+01 -0.132485D+00 -0.904802D+00 -0.200601D+01 -0.125787D+01
                11            12            13            14            15 
      1   0.158904D+01 -0.125787D+01 -0.972183D+00  0.366086D+01  0.159307D+01
      2   0.168727D+01 -0.698608D+00  0.366086D+01 -0.142613D+01 -0.940355D-01
      3  -0.698608D+00  0.281459D+01  0.159307D+01 -0.940355D-01 -0.928101D+00
                16            17            18            19            20 
      1  -0.324900D+01  0.173096D+01  0.108946D+01  0.805050D+01 -0.291830D+00
      2   0.173096D+01  0.134757D+00 -0.982579D+00 -0.291830D+00 -0.817885D+00
      3   0.108946D+01 -0.982579D+00 -0.223248D+00 -0.616842D+00 -0.367838D+00
                21            22            23            24            25 
      1  -0.616842D+00  0.361008D+01 -0.162514D+01 -0.108887D+01 -0.128123D+02
      2  -0.367838D+00 -0.162514D+01  0.254129D+01 -0.215306D+01  0.115264D+00
      3  -0.290740D+01 -0.108887D+01 -0.215306D+01 -0.101900D+01  0.210901D+00
                26            27            28            29            30 
      1   0.115264D+00  0.210901D+00 -0.263780D+02 -0.188122D+00  0.112282D+01
      2  -0.764369D+00 -0.724821D+00 -0.188122D+00 -0.133322D+01  0.230155D+00
      3  -0.724821D+00 -0.142497D+01  0.112282D+01  0.230155D+00 -0.258864D+01
                31            32            33            34            35 
      1   0.265613D+01 -0.478271D+01 -0.161158D+01  0.306110D+01 -0.148455D+01
      2  -0.478271D+01  0.759924D+00  0.471915D+00 -0.148455D+01  0.151173D+00
      3  -0.161158D+01  0.471915D+00  0.105669D+00 -0.532200D+00 -0.759650D+00
                36            37            38            39            40 
      1  -0.532200D+00  0.122062D+02 -0.697946D+00 -0.104039D+01 -0.421478D+01
      2  -0.759650D+00 -0.697946D+00 -0.209613D+01  0.142105D+01 -0.158326D+01
      3   0.685795D+00 -0.104039D+01  0.142105D+01 -0.165800D+01  0.158413D+00
                41            42            43            44            45 
      1  -0.158326D+01  0.158413D+00  0.103947D+02 -0.173546D+01  0.263898D+00
      2  -0.257070D+01  0.242040D+01 -0.173546D+01  0.110686D+01  0.125534D+01
      3   0.242040D+01  0.207359D+01  0.263898D+00  0.125534D+01  0.179760D+01
                46            47            48            49            50 
      1  -0.894090D+01  0.763448D+00  0.893194D+00 -0.196139D+01  0.151265D+01
      2   0.763448D+00  0.137384D+01 -0.633312D+00  0.151265D+01 -0.360833D+01
      3   0.893194D+00 -0.633312D+00  0.313337D+01  0.178410D+01  0.208734D+01
                51            52            53            54            55 
      1   0.178410D+01  0.126745D+02  0.123711D+01 -0.618868D+00 -0.133963D+02
      2   0.208734D+01  0.123711D+01 -0.203076D+00  0.136176D+01 -0.290444D+01
      3   0.901563D+00 -0.618868D+00  0.136176D+01  0.821539D+00 -0.517330D+00
                56            57            58            59            60 
      1  -0.290444D+01 -0.517330D+00 -0.641651D+01 -0.676783D+01 -0.366038D+00
      2  -0.361155D+01  0.666829D-01 -0.676783D+01  0.399037D+00 -0.195305D+01
      3   0.666829D-01 -0.142349D+01 -0.366038D+00 -0.195305D+01  0.172165D+01
                61            62            63            64            65 
      1  -0.169824D+01 -0.572329D+00 -0.300577D+01 -0.364756D+01  0.434313D+01
      2  -0.572329D+00 -0.260683D+01  0.260104D+01  0.434313D+01  0.284942D+01
      3  -0.300577D+01  0.260104D+01  0.456519D+01  0.238179D+01 -0.293077D+00
                66            67            68            69            70 
      1   0.238179D+01  0.122999D+02  0.485061D+01 -0.608173D-01  0.535020D+01
      2  -0.293077D+00  0.485061D+01  0.141164D+01  0.309747D+01  0.749117D+00
      3   0.504931D+00 -0.608173D-01  0.309747D+01 -0.232446D+01  0.945909D-01
                71            72            73            74            75 
      1   0.749117D+00  0.945909D-01  0.305373D+01 -0.316790D+01 -0.238658D+01
      2   0.325820D+01 -0.209264D+01 -0.316790D+01 -0.318567D+01 -0.302300D-01
      3  -0.209264D+01 -0.402827D+01 -0.238658D+01 -0.302300D-01 -0.120040D+01
                76            77            78            79            80 
      1  -0.463884D+01 -0.417055D+01 -0.265961D-01 -0.290101D+01  0.180348D+00
      2  -0.417055D+01 -0.769942D+00 -0.406175D+01  0.180348D+00 -0.311570D+01
      3  -0.265961D-01 -0.406175D+01  0.250023D+01 -0.224619D+00  0.220940D+01
                81            82            83            84            85 
      1  -0.224619D+00  0.294274D+01 -0.384473D+01 -0.141988D+01 -0.597534D+01
      2   0.220940D+01 -0.384473D+01 -0.364699D+01  0.312107D+00 -0.395592D+01
      3   0.258247D+01 -0.141988D+01  0.312107D+00 -0.805782D+00 -0.865175D-01
                86            87            88            89            90 
      1  -0.395592D+01 -0.865175D-01 -0.209172D+01 -0.883424D+00 -0.605008D+00
      2  -0.241267D+01 -0.236104D+01 -0.883424D+00 -0.305864D+01  0.174744D+01
      3  -0.236104D+01  0.254701D+01 -0.605008D+00  0.174744D+01  0.576915D+01
                91            92            93            94            95 
      1   0.385477D+01  0.264228D+01  0.412179D+00 -0.277390D+00  0.535445D+01
      2   0.264228D+01  0.153404D+01  0.884047D+00  0.535445D+01 -0.334571D+01
      3   0.412179D+00  0.884047D+00  0.134573D+01  0.180739D+01 -0.819537D-01
                96            97            98            99           100 
      1   0.180739D+01  0.352479D+01  0.164782D+01  0.184701D+01  0.288762D+01
      2  -0.819537D-01  0.164782D+01  0.166804D+01  0.188098D+01 -0.187228D+01
      3   0.142048D+01  0.184701D+01  0.188098D+01 -0.411479D+01  0.157042D+01
               101           102           103           104           105 
      1  -0.187228D+01  0.157042D+01 -0.196620D+01 -0.424534D+00 -0.136450D+01
      2   0.513338D+00 -0.866187D+00 -0.424534D+00  0.294312D+01  0.194080D+00
      3  -0.866187D+00  0.373204D+00 -0.136450D+01  0.194080D+00 -0.197631D+01
               106           107           108           109           110 
      1   0.261619D+01 -0.250528D+01  0.125792D+01 -0.542361D+01  0.216989D+01
      2  -0.250528D+01  0.204904D+01 -0.240926D+01  0.216989D+01 -0.165024D+01
      3   0.125792D+01 -0.240926D+01  0.287868D+01 -0.336838D+01  0.684706D+00
               111           112           113           114           115 
      1  -0.336838D+01  0.319469D+01 -0.249887D+01  0.126100D+01 -0.750865D+01
      2   0.684706D+00 -0.249887D+01  0.290849D+01 -0.223054D+01  0.297458D+01
      3  -0.184624D+01  0.126100D+01 -0.223054D+01  0.217342D+01 -0.306716D+01
               116           117           118           119           120 
      1   0.297458D+01 -0.306716D+01  0.904549D+00  0.445720D-01  0.118374D+01
      2  -0.448142D+01  0.205363D+01  0.445720D-01  0.198629D+01  0.440860D+00
      3   0.205363D+01 -0.735226D+01  0.118374D+01  0.440860D+00  0.307170D+00
               121           122           123           124           125 
      1   0.208567D+00  0.194008D+01  0.153252D+00  0.331736D+01 -0.114243D+01
      2   0.194008D+01 -0.573261D+01  0.693228D+00 -0.114243D+01  0.286502D+01
      3   0.153252D+00  0.693228D+00  0.328333D+00 -0.911619D+00  0.251693D+01
               126           127           128           129           130 
      1  -0.911619D+00  0.186744D+01  0.593292D+00 -0.183067D+01  0.237549D+00
      2   0.251693D+01  0.593292D+00  0.290550D+00 -0.315619D+00  0.142279D+00
      3   0.457447D+01 -0.183067D+01 -0.315619D+00  0.195543D+01 -0.542492D+00
               131           132           133           134           135 
      1   0.142279D+00 -0.542492D+00 -0.221576D+01 -0.878227D+00  0.256302D+01
      2   0.379046D+00 -0.545313D+00 -0.878227D+00 -0.118601D+01  0.153216D+01
      3  -0.545313D+00  0.200743D+01  0.256302D+01  0.153216D+01 -0.692370D+01
               136           137           138           139           140 
      1  -0.341063D+01  0.964948D+00 -0.179153D+01  0.151703D+01 -0.569693D+00
      2   0.964948D+00 -0.778381D+00  0.603454D+00 -0.569693D+00  0.637103D+00
      3  -0.179153D+01  0.603454D+00 -0.173544D+01  0.112737D+01 -0.621822D+00
               141           142           143           144           145 
      1   0.112737D+01 -0.248333D+01  0.970591D+00 -0.236719D+01 -0.199735D+01
      2  -0.621822D+00  0.970591D+00 -0.127174D+01  0.142959D+01 -0.625072D+00
      3   0.175694D+01 -0.236719D+01  0.142959D+01 -0.432655D+01  0.200818D+01
               146           147           148           149           150 
      1  -0.625072D+00  0.200818D+01 -0.359440D+00 -0.175533D+00  0.622532D+00
      2  -0.364816D+00  0.607705D+00 -0.175533D+00 -0.610055D+00  0.798860D+00
      3   0.607705D+00 -0.222386D+01  0.622532D+00  0.798860D+00 -0.229650D+01
               151           152           153           154           155 
      1   0.204231D+01  0.100189D+01 -0.257691D+01  0.345923D+01 -0.110078D+01
      2   0.100189D+01  0.164763D+01 -0.239329D+01 -0.110078D+01  0.104013D+01
      3  -0.257691D+01 -0.239329D+01  0.721726D+01  0.239916D+01 -0.105588D+01
               156           157           158           159           160 
      1   0.239916D+01 -0.194676D+01  0.777716D+00 -0.137990D+01  0.244843D+01
      2  -0.105588D+01  0.777716D+00 -0.940502D+00  0.973504D+00 -0.122690D+01
      3   0.211826D+01 -0.137990D+01  0.973504D+00 -0.201332D+01  0.268089D+01
               161           162           163           164           165 
      1  -0.122690D+01  0.268089D+01  0.153503D+01 -0.357758D+00 -0.158904D+01
      2   0.176876D+01 -0.208163D+01 -0.357758D+00  0.873705D+00  0.402045D+00
      3  -0.208163D+01  0.460929D+01 -0.158904D+01  0.402045D+00  0.127854D+01
               166           167           168           169           170 
      1   0.103289D+01  0.142636D+01  0.426902D+00 -0.441402D+01  0.656234D+00
      2   0.142636D+01 -0.109718D+01 -0.120146D+01  0.656234D+00 -0.183413D+01
      3   0.426902D+00 -0.120146D+01 -0.129361D+01  0.284836D+01 -0.241462D+01
               171           172           173           174           175 
      1   0.284836D+01  0.324623D+01 -0.177639D+01  0.102634D+01 -0.263574D+01
      2  -0.241462D+01 -0.177639D+01  0.228972D+01 -0.339858D+00  0.309854D+01
      3  -0.655392D+01  0.102634D+01 -0.339858D+00  0.675324D+00 -0.505873D+00
               176           177           178           179           180 
      1   0.309854D+01 -0.505873D+00  0.423883D+01 -0.876311D+00  0.113274D+01
      2  -0.544649D+01  0.135841D+01 -0.876311D+00  0.265408D+01 -0.149403D+01
      3   0.135841D+01 -0.111380D+01  0.113274D+01 -0.149403D+01  0.897247D+00
               181           182           183           184           185 
      1   0.126987D+02 -0.148864D+01 -0.165170D+01 -0.309473D+01  0.113228D+01
      2  -0.148864D+01  0.120485D+01  0.215106D+00  0.113228D+01 -0.102368D+01
      3  -0.165170D+01  0.215106D+00  0.147239D+01  0.139541D+00 -0.697256D+00
               186           187           188           189           190 
      1   0.139541D+00 -0.231900D+01 -0.177146D-02  0.190172D+01  0.415324D+01
      2  -0.697256D+00 -0.177146D-02 -0.778241D+00  0.504469D-01  0.298289D+01
      3  -0.107543D+00  0.190172D+01  0.504469D-01 -0.337274D+00  0.214361D+01
               191           192           193           194           195 
      1   0.298289D+01  0.214361D+01  0.385857D+01  0.366554D+01  0.185178D+01
      2   0.283046D+01  0.122852D+01  0.366554D+01  0.484926D+01  0.248085D+01
      3   0.122852D+01  0.187681D+01  0.185178D+01  0.248085D+01  0.210016D+01
               196           197           198           199           200 
      1   0.129647D+01  0.886965D+00  0.149766D+01  0.120197D+01 -0.697322D+00
      2   0.886965D+00  0.132863D+01  0.117283D+01 -0.697322D+00  0.128942D+01
      3   0.149766D+01  0.117283D+01  0.128030D+01  0.149030D+01 -0.643601D+00
               201           202           203           204           205 
      1   0.149030D+01 -0.157035D+01  0.131210D+01 -0.130693D+01  0.156810D+01
      2  -0.643601D+00  0.131210D+01 -0.343000D+01  0.251803D+01 -0.664805D+00
      3   0.147912D+01 -0.130693D+01  0.251803D+01 -0.353154D+01  0.146675D+01
               206           207           208           209           210 
      1  -0.664805D+00  0.146675D+01 -0.719063D+01  0.142392D+00  0.605779D+00
      2   0.205369D+01 -0.205914D+01  0.142392D+00 -0.136550D+01 -0.824438D+00
      3  -0.205914D+01  0.367952D+01  0.605779D+00 -0.824438D+00 -0.206273D+01
               211           212           213           214           215 
      1   0.178007D-01 -0.827438D+00 -0.632848D+00  0.535286D+00 -0.475878D+00
      2  -0.827438D+00  0.765060D+00  0.795538D+00 -0.475878D+00  0.602235D+00
      3  -0.632848D+00  0.795538D+00  0.441662D+00 -0.947540D+00  0.126139D+00
               216           217           218           219           220 
      1  -0.947540D+00 -0.551892D+01  0.124688D+01  0.512745D+00  0.271506D+01
      2   0.126139D+00  0.124688D+01 -0.186945D+01  0.245161D+00  0.107688D-01
      3   0.101961D+01  0.512745D+00  0.245161D+00 -0.106211D+01 -0.128862D+00
               221           222           223           224           225 
      1   0.107688D-01 -0.128862D+00  0.743383D+00 -0.156850D+00 -0.481730D+00
      2   0.209766D+01  0.466756D-01 -0.156850D+00  0.674909D+00  0.133169D+00
      3   0.466756D-01  0.227110D+00 -0.481730D+00  0.133169D+00 -0.284695D+00
               226           227           228           229           230 
      1   0.332645D+00  0.426538D+00 -0.108015D+01  0.272562D-01  0.356590D+00
      2   0.426538D+00  0.577663D+00 -0.115932D+00  0.356590D+00 -0.110990D+00
      3  -0.108015D+01 -0.115932D+00  0.940309D+00  0.427917D-01 -0.647906D+00
               231           232           233           234           235 
      1   0.427917D-01 -0.151081D+01 -0.320242D+00  0.125165D+01  0.349846D+01
      2  -0.647906D+00 -0.320242D+00 -0.135043D+01  0.452540D+00  0.345407D+01
      3  -0.106853D+01  0.125165D+01  0.452540D+00 -0.866029D+01  0.380154D-01
               236           237           238           239           240 
      1   0.345407D+01  0.380154D-01  0.350901D+01  0.419982D+01 -0.130776D+00
      2   0.397092D+01 -0.204071D+00  0.419982D+01  0.708224D+01 -0.145858D-01
      3  -0.204071D+00  0.969483D+00 -0.130776D+00 -0.145858D-01  0.758600D+00
               241           242           243           244           245 
      1   0.105501D+01  0.773007D+00  0.785163D+00  0.324537D+00 -0.879862D+00
      2   0.773007D+00  0.157975D+01  0.661593D+00 -0.879862D+00 -0.453400D+00
      3   0.785163D+00  0.661593D+00 -0.985369D-01  0.132775D+01  0.692464D-01
               246           247           248           249           250 
      1   0.132775D+01 -0.127805D+01 -0.938461D+00  0.175288D+00  0.251809D+01
      2   0.692464D-01 -0.938461D+00 -0.574872D+00  0.108913D+01  0.219860D+00
      3  -0.110116D+01  0.175288D+00  0.108913D+01 -0.117996D+01 -0.187610D+01
               251           252           253           254           255 
      1   0.219860D+00 -0.187610D+01  0.759461D+01 -0.659134D+00 -0.181777D+01
      2   0.151074D+01 -0.104616D+01 -0.659134D+00 -0.323562D+01 -0.711000D+00
      3  -0.104616D+01  0.594098D+01 -0.181777D+01 -0.711000D+00 -0.100407D+01
               256           257           258           259           260 
      1  -0.474993D+01 -0.348264D+01 -0.116964D+01 -0.613981D+01 -0.149242D+01
      2  -0.348264D+01  0.381110D+01 -0.124929D+01 -0.149242D+01 -0.230729D+01
      3  -0.116964D+01 -0.124929D+01 -0.172393D+01 -0.148308D+01 -0.138729D+01
               261           262           263           264           265 
      1  -0.148308D+01 -0.895342D+00  0.137297D+01  0.481812D+00  0.153642D+01
      2  -0.138729D+01  0.137297D+01 -0.186339D+01 -0.452310D+00 -0.265018D+01
      3   0.365794D+01  0.481812D+00 -0.452310D+00 -0.392813D+00 -0.528622D+00
               266           267           268           269           270 
      1  -0.265018D+01 -0.528622D+00 -0.204481D+00  0.492713D+00 -0.190641D+00
      2   0.932609D+01  0.184858D+01  0.492713D+00 -0.136431D+01  0.532421D+00
      3   0.184858D+01  0.165486D+01 -0.190641D+00  0.532421D+00  0.507731D+00
               271           272           273           274           275 
      1  -0.146003D+02 -0.179398D+01  0.311215D+00  0.646178D+00 -0.101874D+01
      2  -0.179398D+01 -0.139772D+01 -0.128257D+00 -0.101874D+01 -0.444987D+00
      3   0.311215D+00 -0.128257D+00 -0.107603D+01  0.109768D+00  0.225326D+00
               276           277           278           279           280 
      1   0.109768D+00  0.231568D+01  0.462910D+00 -0.115780D+01  0.279338D-01
      2   0.225326D+00  0.462910D+00  0.626318D+00  0.918486D-02 -0.728819D+00
      3   0.260975D+00 -0.115780D+01  0.918486D-02  0.835292D-01  0.309407D+00
               281           282           283           284           285 
      1  -0.728819D+00  0.309407D+00 -0.151939D+01 -0.275637D+00 -0.292754D-01
      2   0.200810D+01  0.220641D+00 -0.275637D+00 -0.831704D+01 -0.147353D-01
      3   0.220641D+00  0.407050D+00 -0.292754D-01 -0.147353D-01 -0.917333D+00
               286           287           288           289           290 
      1   0.100984D+01  0.341869D+00  0.736677D-01 -0.317285D+00  0.336601D+00
      2   0.341869D+00  0.118633D+01 -0.736290D+00  0.336601D+00  0.466180D+00
      3   0.736677D-01 -0.736290D+00 -0.929822D-01 -0.543743D+00  0.195453D+00
               291           292           293           294           295 
      1  -0.543743D+00  0.119758D+01  0.345338D+00  0.196144D+00 -0.195206D+01
      2   0.195453D+00  0.345338D+00  0.214725D+00 -0.419078D+00 -0.322830D+00
      3   0.311210D+00  0.196144D+00 -0.419078D+00  0.726690D+00 -0.786687D+00
               296           297 
      1  -0.322830D+00 -0.786687D+00
      2  -0.136030D+01 -0.240386D+00
      3  -0.240386D+00 -0.614082D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.278070D+01 -0.187598D+01  0.181776D+01 -0.737486D+01 -0.195029D+01
      2   0.292671D+01 -0.272675D+01  0.953378D+01 -0.250892D+01  0.218437D+01
      3   0.182822D+02 -0.129662D+01  0.279284D+01  0.697225D+01 -0.192552D+01
                 6             7             8             9            10 
      1  -0.209495D+01 -0.547231D+00  0.179751D+01 -0.273994D+00 -0.371510D+01
      2  -0.360767D+01 -0.425725D+01 -0.109215D+01  0.283117D+01 -0.903303D+00
      3   0.278086D+01  0.143744D+02  0.328579D+00  0.237679D+01 -0.356208D+02
                11            12            13            14            15 
      1  -0.270695D+00  0.105592D+01  0.334239D+01  0.442475D+01 -0.899377D+01
      2   0.590719D+00 -0.272404D+01  0.445174D+01 -0.419357D+00  0.371666D+00
      3  -0.177166D+01  0.985236D+00  0.999729D+01 -0.162716D+01 -0.999685D+00
                16            17            18            19            20 
      1  -0.419831D+01 -0.152874D+01 -0.424960D+01 -0.104143D+01  0.104688D+01
      2  -0.223611D+02 -0.155705D+01 -0.380801D+01 -0.411112D+01 -0.196744D+01
      3  -0.345217D+00 -0.178335D+01 -0.302703D+00 -0.104731D+02 -0.168155D+01
                21            22            23            24            25 
      1  -0.156339D+01  0.589092D+01 -0.226698D+01 -0.347209D+01  0.517070D+01
      2   0.329286D+01 -0.423281D+01 -0.236643D+01  0.102027D+01 -0.141883D+01
      3   0.290345D+01  0.827134D+01  0.138922D+01 -0.256154D+01  0.180582D+02
                26            27            28            29            30 
      1   0.134277D+01 -0.193431D+01  0.216731D+01  0.874799D+00 -0.324201D+01
      2   0.644224D+00 -0.222526D+01  0.300385D+00  0.218986D+01 -0.355809D+01
      3  -0.724602D+00 -0.434330D+01  0.277144D+02  0.879803D+00 -0.284973D+01
                31            32            33            34            35 
      1  -0.163789D+01  0.470267D+01 -0.850862D+01 -0.572982D+01 -0.729256D+00
      2   0.518474D+01 -0.186382D+00  0.258955D+01 -0.242914D+02  0.339466D+01
      3   0.716159D+01  0.517668D+01  0.100898D+01 -0.694251D+01 -0.189997D+01
                36            37            38            39            40 
      1  -0.310765D+01 -0.321470D+01 -0.257542D-01 -0.116280D+01 -0.488556D+01
      2  -0.244385D+00 -0.165918D+01 -0.248323D+01  0.824141D+01 -0.357786D+01
      3   0.245502D+01 -0.142319D+02 -0.159890D+00  0.280786D+01  0.155058D+02
                41            42            43            44            45 
      1   0.175367D+01  0.983378D+00 -0.232622D+01  0.344817D+01  0.273171D+01
      2   0.171928D+01 -0.273420D+01 -0.653620D+01 -0.847966D+00  0.202572D+01
      3  -0.415770D+00  0.208286D+01 -0.976965D+01  0.347995D+01  0.158545D+01
                46            47            48            49            50 
      1   0.286628D+01  0.878129D+00  0.299785D+01  0.944856D+01  0.143726D+01
      2  -0.523925D+00 -0.197426D+01  0.316447D+01 -0.389688D+01 -0.182024D+01
      3   0.145327D+02 -0.191240D+01 -0.799397D+00  0.123015D+02  0.147126D+01
                51            52            53            54            55 
      1  -0.233001D+01  0.257818D+01  0.312096D+01  0.816970D-01  0.193913D+01
      2   0.119971D+01 -0.387648D+01  0.843995D+00 -0.316528D+00 -0.696650D+01
      3  -0.525217D+01 -0.131206D+02 -0.143958D+01 -0.177171D+01  0.233338D+02
                56            57            58            59            60 
      1   0.166714D+01 -0.124470D+00  0.390999D+01 -0.289134D+01  0.244489D+01
      2  -0.520447D+00 -0.258117D+01 -0.399223D+01 -0.116181D+02  0.759407D+01
      3   0.120919D+02 -0.219450D-01  0.385631D+02  0.840286D+01  0.784544D+01
                61            62            63            64            65 
      1  -0.470933D+00  0.751439D+01  0.414297D+01 -0.190483D+01 -0.915214D-01
      2  -0.192698D+02  0.849328D+01  0.151998D+02  0.116134D+02 -0.318048D+00
      3   0.395620D+01  0.105094D+02 -0.470213D+01 -0.273737D+02 -0.158451D+02
                66            67            68            69            70 
      1  -0.705753D+00 -0.321866D+01 -0.216631D+01 -0.297810D+01  0.261503D+01
      2   0.583713D+01  0.424478D+01  0.147438D+02 -0.106725D+02 -0.142553D+01
      3   0.180417D+01 -0.251543D+02 -0.733379D+01 -0.126579D+02 -0.579007D+01
                71            72            73            74            75 
      1   0.501799D+01  0.179380D+01 -0.179996D+01 -0.583660D+01  0.635148D+00
      2  -0.902896D+01 -0.167674D+02 -0.175285D+02  0.512015D+01  0.350668D+01
      3  -0.140881D+02  0.703757D+01  0.166218D+02  0.895656D+01 -0.249848D+01
                76            77            78            79            80 
      1  -0.831416D+01  0.191677D+01 -0.130290D+02  0.491503D+00 -0.629588D+01
      2   0.624943D+01 -0.100581D+02  0.107026D+02  0.331215D+01  0.917777D+01
      3   0.167397D+02  0.748104D+00  0.157560D+02 -0.267776D+01  0.123742D+02
                81            82            83            84            85 
      1   0.260211D+01  0.618900D+01  0.392942D+01  0.131133D+01  0.578832D+01
      2   0.122183D+02 -0.544880D+00 -0.369555D+01 -0.222887D+01 -0.709178D+01
      3  -0.897369D+01  0.238803D+02  0.394176D+01 -0.251194D+01  0.744714D+01
                86            87            88            89            90 
      1   0.858967D+01 -0.433317D+01  0.295752D+01  0.303380D+01 -0.149730D+02
      2  -0.137368D+02  0.101063D+02 -0.582164D+01  0.657159D+01  0.197902D+02
      3   0.103976D+01  0.980226D+01  0.529937D+00  0.108947D+02 -0.683802D+01
                91            92            93            94            95 
      1   0.623964D+00  0.183453D+00  0.190243D+01  0.205399D+01 -0.173581D+01
      2  -0.391410D+01 -0.325602D+01 -0.116252D+00 -0.406985D+01 -0.259828D+01
      3  -0.964277D+00 -0.971708D+00  0.271453D+01  0.303722D+02 -0.152622D+02
                96            97            98            99           100 
      1  -0.326805D+01  0.268066D+01  0.472262D+01 -0.126874D+01 -0.110864D+01
      2  -0.645049D+01 -0.150329D+02 -0.638861D+01  0.143901D+02  0.160538D+01
      3  -0.135577D+01  0.207307D+01  0.381539D+01  0.478459D+01  0.103749D+02
               101           102           103           104           105 
      1  -0.519134D+01 -0.489607D+01 -0.244055D+00 -0.152192D+00  0.252429D+01
      2   0.354231D+01  0.491366D+01  0.230158D+01  0.104536D+01  0.131368D+02
      3  -0.120770D+02 -0.477701D+01 -0.638309D+01  0.217996D+01  0.293528D+01
               106           107           108           109           110 
      1  -0.671678D+01  0.699602D+00 -0.381413D+01  0.422358D+01  0.273705D+01
      2  -0.334353D+01  0.962419D+01 -0.164746D+02  0.866196D+01 -0.261732D+01
      3  -0.100095D+02  0.131073D+02 -0.600399D+01 -0.404983D+00 -0.499019D+01
               111           112           113           114           115 
      1   0.397281D+01 -0.528183D+00  0.326454D+00 -0.679870D+01  0.416837D+01
      2   0.867132D+01 -0.638801D+00  0.734037D+01 -0.105103D+02  0.385384D+01
      3   0.533914D+00 -0.401846D+01  0.123014D+02 -0.753168D+01  0.106967D+02
               116           117           118           119           120 
      1   0.470486D+01  0.115594D+02 -0.341238D+01  0.267839D+01  0.835001D-01
      2  -0.631741D+01  0.289723D+02 -0.525837D+01 -0.104293D+01 -0.139108D+00
      3  -0.186735D+02  0.544102D+01 -0.729171D+00  0.604471D+01  0.409588D+01
               121           122           123           124           125 
      1   0.942070D+00 -0.562430D+01 -0.294437D+01 -0.200654D+01  0.710743D+01
      2  -0.231403D+01 -0.400500D+01 -0.206791D+01 -0.206523D+01 -0.718864D+01
      3   0.732399D+01 -0.142688D+02  0.258194D+01 -0.141588D+01  0.848399D+01
               126           127           128           129           130 
      1  -0.691654D+01 -0.214504D+01 -0.198712D+01  0.104111D+01 -0.414240D+00
      2  -0.144422D+02  0.433010D+01  0.114970D+01 -0.110025D+01  0.394102D+00
      3   0.796329D+01 -0.446705D+00 -0.828250D+00  0.785101D+00  0.767543D+00
               131           132           133           134           135 
      1  -0.129648D+01 -0.135050D+00  0.316135D+01  0.541190D+01 -0.521205D+01
      2  -0.460643D-01  0.556204D+00 -0.496237D+01 -0.606538D+00 -0.197267D+01
      3  -0.315352D+00  0.202762D+00  0.100326D+01  0.213921D+01 -0.166450D+01
               136           137           138           139           140 
      1  -0.210507D+01  0.307327D+01 -0.801675D+00  0.106606D+01 -0.129418D+01
      2  -0.758643D+01  0.159079D+01 -0.104438D+01  0.196000D+01 -0.595241D+00
      3   0.586637D+00 -0.155068D+01  0.756480D+00  0.499530D+00  0.118045D+01
               141           142           143           144           145 
      1  -0.422013D+00 -0.218009D+01  0.411785D+01 -0.268051D+01  0.188254D+01
      2   0.214539D+00 -0.467431D+01  0.795267D+00  0.565658D+00  0.399107D+01
      3  -0.391997D+00  0.648163D+00 -0.248883D+01  0.167672D+01  0.287885D+01
               146           147           148           149           150 
      1  -0.940959D+00 -0.252717D+01  0.921965D+00 -0.592644D-03 -0.365999D+01
      2   0.435439D+00 -0.107091D+01  0.394025D+00 -0.898884D-01  0.573824D+00
      3   0.554239D-01 -0.220893D+01  0.152389D+01 -0.277116D+00 -0.635811D+00
               151           152           153           154           155 
      1  -0.175385D+01  0.212032D+01  0.581806D+01  0.280313D+01  0.130309D+01
      2  -0.458742D+01 -0.429723D+00 -0.691511D+00 -0.458325D+01  0.524791D-01
      3  -0.260102D+01  0.615697D+00  0.223293D+01 -0.545868D+01 -0.977003D+00
               156           157           158           159           160 
      1   0.264366D+01 -0.178361D+01  0.260194D+00 -0.365367D+01  0.271418D+01
      2  -0.245234D+00  0.145150D+01  0.189265D+00 -0.114817D+01 -0.249945D+01
      3  -0.245963D+01  0.389641D+01  0.596804D+00  0.992431D+00 -0.306550D+01
               161           162           163           164           165 
      1   0.119497D+01  0.466142D+01 -0.129337D+01 -0.546997D+00  0.130837D+01
      2  -0.439844D+00  0.203223D+01 -0.552321D+01  0.636276D+00  0.489859D+01
      3  -0.145876D+01 -0.166799D+01 -0.123906D+01 -0.374724D+01  0.807705D+00
               166           167           168           169           170 
      1  -0.331393D+00 -0.180523D+00 -0.191008D+01  0.261864D+01  0.111171D+01
      2   0.155570D+01 -0.306450D+01 -0.446467D+01  0.462328D+01 -0.834728D+01
      3  -0.462357D+01  0.202255D+01  0.292799D+01  0.340366D+01  0.559340D+01
               171           172           173           174           175 
      1  -0.693058D+01  0.180275D+01 -0.134883D+01  0.168286D+01 -0.232609D+01
      2  -0.217229D+02  0.629226D+01 -0.229793D+01  0.455257D+01 -0.279395D+01
      3   0.396260D+01  0.219927D+01 -0.686112D+01  0.194366D-01 -0.494524D+01
               176           177           178           179           180 
      1   0.402029D+01 -0.452030D+01  0.158848D+01 -0.207618D+01  0.280932D+01
      2   0.706274D+01 -0.528140D+01  0.393788D+01 -0.610476D+01  0.391390D+01
      3   0.150178D+02 -0.375472D+01 -0.283891D+01 -0.854326D+01  0.351940D+01
               181           182           183           184           185 
      1   0.284931D+00 -0.571567D+00 -0.213562D+00  0.676726D-01  0.488914D+00
      2  -0.365952D+01  0.573660D+00  0.915073D+01 -0.437997D+00 -0.310028D+01
      3   0.585237D+01 -0.844767D+01 -0.898048D+00 -0.208497D+01  0.468474D+01
               186           187           188           189           190 
      1  -0.901896D+00 -0.426353D+00  0.104292D+01 -0.139425D+00  0.330219D+01
      2  -0.217754D+00  0.594041D+01  0.330425D+00 -0.838098D+00  0.225168D+01
      3   0.331468D+01  0.562323D+00  0.408529D+01 -0.510144D+00 -0.879385D+01
               191           192           193           194           195 
      1   0.491682D+01 -0.527922D+00  0.520770D+01  0.702976D+01  0.873525D-01
      2   0.333298D+00  0.621408D+01  0.243054D-01  0.466251D+01  0.709900D+01
      3  -0.112232D+02 -0.351650D+01 -0.100170D+02 -0.183357D+02 -0.888166D+01
               196           197           198           199           200 
      1   0.100778D+01  0.277101D+01  0.697597D+00 -0.233874D+01  0.309476D+01
      2   0.239109D+01  0.292384D+01  0.321966D+01  0.516842D+01 -0.132005D+01
      3  -0.184709D+01 -0.520132D+01 -0.382837D+01  0.265168D+01 -0.599010D+01
               201           202           203           204           205 
      1  -0.179043D+01  0.266667D+01 -0.958933D+01  0.491970D+01 -0.199358D+01
      2   0.467670D+01 -0.111157D+01  0.863099D+01 -0.133899D+02  0.111221D+01
      3   0.310429D+01 -0.329370D+01  0.148790D+02 -0.983642D+01  0.246304D+01
               206           207           208           209           210 
      1   0.741241D+01 -0.537858D+01 -0.197839D+01 -0.277847D+01  0.122988D+01
      2  -0.764957D+01  0.127516D+02  0.200117D+02 -0.322243D+01 -0.812725D+01
      3  -0.863231D+01  0.843728D+01 -0.821997D+01  0.382421D+01  0.397858D+01
               211           212           213           214           215 
      1  -0.168391D+01  0.144996D+00 -0.123623D+00  0.748866D+00  0.192323D+01
      2  -0.235701D+01  0.499979D+01  0.231712D+01 -0.808450D+01  0.118083D+01
      3   0.509604D+01 -0.270928D+01 -0.324538D+01  0.270262D+01 -0.195261D+01
               216           217           218           219           220 
      1  -0.321286D+00 -0.167338D+01  0.153591D+01  0.277114D+01 -0.696923D-01
      2   0.509219D+01 -0.657710D+01  0.236360D+01 -0.139206D+01  0.304632D+01
      3  -0.144122D+01 -0.213526D+02  0.694407D+01  0.264333D+00  0.624491D+01
               221           222           223           224           225 
      1  -0.235064D+01 -0.979916D+00  0.181504D+01  0.532224D+00 -0.475969D-01
      2  -0.233549D-01 -0.421170D+00 -0.305314D+01 -0.252207D+00 -0.154008D+01
      3  -0.706667D+01 -0.662250D+00  0.176922D+01 -0.272883D+01 -0.156081D+01
               226           227           228           229           230 
      1   0.125353D+01 -0.600289D+00 -0.123976D+01 -0.277436D+00  0.180192D+01
      2  -0.421113D+01 -0.191228D+00  0.267858D+01 -0.461521D+00 -0.191750D+01
      3  -0.234579D+01 -0.234507D+01 -0.923143D+00 -0.306267D+00  0.143060D+01
               231           232           233           234           235 
      1   0.187124D+01 -0.130577D+01  0.453847D+01  0.154368D+02 -0.411812D+01
      2  -0.430720D+01 -0.763264D+00  0.946841D+00 -0.304763D+02  0.361980D+01
      3   0.190927D+01 -0.124642D+01  0.480633D+01 -0.170048D+01 -0.670227D+01
               236           237           238           239           240 
      1  -0.432909D+01 -0.314041D+01 -0.530515D+01 -0.822679D+01 -0.394612D+01
      2   0.248114D+01  0.543391D+01  0.352318D+01  0.409849D+01  0.377019D+01
      3  -0.109530D+02  0.122755D+01 -0.631868D+01 -0.206650D+02 -0.429254D-02
               241           242           243           244           245 
      1  -0.223055D+01 -0.176713D+01 -0.100985D+01  0.212793D+00 -0.337886D+00
      2   0.337981D+01  0.285135D+01  0.491737D+00 -0.547613D+01  0.157808D+00
      3  -0.715153D+00 -0.530370D+01 -0.129013D+01 -0.281319D+01 -0.161041D+01
               246           247           248           249           250 
      1  -0.783414D+00 -0.858079D-01  0.833708D-01 -0.850871D+00 -0.119903D+01
      2   0.356151D+01  0.431336D+00 -0.262714D+01  0.398575D+01  0.102435D+01
      3  -0.515098D+00 -0.558983D+00 -0.108663D+01  0.278738D+01 -0.119818D+01
               251           252           253           254           255 
      1   0.272025D+01  0.306873D+01 -0.203436D+01  0.897355D+00 -0.207327D+01
      2   0.347142D+01 -0.180772D+02  0.145396D+02  0.329922D+01  0.604102D+01
      3   0.389979D+01 -0.198504D+01 -0.158575D+02 -0.138703D+02  0.221866D+00
               256           257           258           259           260 
      1  -0.144312D+01 -0.572305D+01 -0.370656D+01 -0.638272D+00  0.104014D+01
      2   0.443389D+01  0.443925D+01  0.587670D+01  0.402930D+01  0.505813D+01
      3  -0.574541D+01  0.204380D+02 -0.331490D+01  0.127014D+01 -0.576566D+01
               261           262           263           264           265 
      1   0.841740D+01  0.881145D+00 -0.138978D+01  0.531703D+00 -0.250023D+01
      2  -0.177908D+02 -0.647422D+00  0.232385D+00  0.100471D+01 -0.853002D-01
      3  -0.451606D+01  0.277972D+01 -0.405812D+01 -0.164338D+01 -0.359872D+01
               266           267           268           269           270 
      1   0.908997D+01 -0.192786D+01  0.399603D+00 -0.115543D+01  0.877067D+00
      2  -0.358881D+01 -0.501316D+01  0.168554D+00 -0.161611D+01 -0.112226D+01
      3   0.272437D+02  0.545597D+01  0.123483D+01 -0.457387D+01  0.153896D+01
               271           272           273           274           275 
      1   0.113710D+01  0.551975D+00 -0.216528D+01  0.794997D+00  0.602067D+00
      2  -0.797143D+01 -0.171504D+00  0.784632D+01 -0.692909D+00 -0.138691D+01
      3   0.149406D+02 -0.603916D+01 -0.116204D+01 -0.361980D+01 -0.253607D+00
               276           277           278           279           280 
      1  -0.116480D+00 -0.194897D+01  0.655966D+00 -0.251889D-01  0.130898D+01
      2  -0.758761D+00  0.435021D+01 -0.290310D+00 -0.472885D+00 -0.110276D+01
      3   0.856235D+00 -0.157635D+01  0.191194D+01  0.187053D+01 -0.458302D+01
               281           282           283           284           285 
      1  -0.684665D+00  0.154050D+01 -0.327042D+00  0.492408D+01 -0.406036D+01
      2  -0.937070D+00 -0.125166D+01 -0.799655D+00  0.702048D-01  0.314971D+01
      3   0.763119D+01 -0.160223D+00  0.483462D+01 -0.298489D+02  0.459773D+00
               286           287           288           289           290 
      1   0.643441D+00 -0.993438D+00  0.460911D+00 -0.177554D+01 -0.560909D+00
      2  -0.156868D+01  0.245332D+01  0.442990D+00  0.428821D+01  0.771342D-01
      3  -0.109550D+01  0.372359D+01 -0.271404D+01  0.154602D+01  0.828712D+00
               291           292           293           294           295 
      1   0.431418D+00 -0.202693D+00 -0.223175D+01  0.989539D+00 -0.251735D+00
      2  -0.179557D+01  0.141644D+01  0.206200D+01 -0.321872D+01 -0.191942D+01
      3   0.106034D+01  0.838671D+00  0.622292D+00 -0.176442D+01  0.150955D+01
               296           297 
      1   0.345183D+01 -0.107939D+02
      2  -0.378270D-01  0.241960D+02
      3  -0.451049D+01  0.932192D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.627347D+00 -0.909134D+01  0.197447D+02  0.117470D+02 -0.203183D+01
      2   0.751803D+01  0.381019D+01 -0.732657D+01 -0.330896D+01  0.243319D+01
      3  -0.689068D+01  0.528115D+01 -0.124181D+02 -0.843807D+01 -0.401359D+00
      4  -0.175528D+01  0.180408D+01 -0.886405D+00  0.772687D+01  0.457520D+01
      5   0.212155D+02  0.703074D-01 -0.779810D+01 -0.925208D+01 -0.367333D+01
      6  -0.399930D+00 -0.275070D+01  0.190041D+01 -0.135044D+01  0.409125D+01
                 6             7             8             9            10 
      1  -0.182118D+02 -0.206379D+02 -0.916936D+01  0.453817D+01  0.481888D+02
      2   0.222204D+01  0.383458D+01  0.223316D+01  0.374699D+01 -0.239379D+02
      3   0.159898D+02  0.168033D+02  0.693621D+01 -0.828516D+01 -0.242509D+02
      4  -0.439383D+01  0.384006D+01 -0.192426D+01 -0.461699D+01 -0.101440D+02
      5  -0.308931D+01  0.101312D+02 -0.406035D+01  0.528670D+01 -0.906920D+01
      6   0.126215D+02 -0.689480D+01  0.509233D+01  0.140645D+02  0.374273D+01
                11            12            13            14            15 
      1   0.762638D+01 -0.182653D+01  0.121449D+02 -0.371311D+01  0.653362D+01
      2  -0.708696D+01  0.377814D+01 -0.131768D+02  0.769330D+01 -0.864226D+00
      3  -0.539423D+00 -0.195162D+01  0.103190D+01 -0.398019D+01 -0.566939D+01
      4   0.136047D+01 -0.314508D+01  0.135734D+02 -0.867133D+01 -0.606108D+00
      5  -0.374852D+01  0.896634D+01  0.145639D+02  0.150702D+00 -0.319279D+01
      6   0.142575D+01 -0.645544D+01 -0.442111D+01  0.481317D+01  0.888726D+01
                16            17            18            19            20 
      1  -0.632332D+01  0.641537D+01 -0.195747D+02 -0.202569D+01  0.517930D+01
      2  -0.307419D+01  0.404244D+01  0.329567D+01 -0.282052D+01 -0.214726D+01
      3   0.939751D+01 -0.104578D+02  0.162790D+02  0.484621D+01 -0.303204D+01
      4   0.152545D+02  0.802947D+00 -0.374538D+01  0.333115D+01 -0.322493D+00
      5  -0.148488D+02 -0.336215D+01 -0.275844D+01 -0.179240D+02  0.278027D+01
      6  -0.513808D+01  0.272853D+01 -0.386624D+01  0.333980D+01  0.435477D+01
                21            22            23            24            25 
      1  -0.235265D+02 -0.914639D+01 -0.535330D+01 -0.523155D+01  0.216824D+02
      2   0.620106D+01 -0.198180D+01  0.621261D+01 -0.561813D-01  0.408429D-01
      3   0.173254D+02  0.111282D+02 -0.859315D+00  0.528773D+01 -0.217232D+02
      4   0.300091D+01  0.333596D+01 -0.822524D+00  0.368660D+01  0.398577D+01
      5  -0.923497D+00  0.130607D+01  0.168002D+01  0.758511D+01  0.135426D+02
      6   0.467870D+01  0.341726D+01  0.217591D+01  0.711353D+01  0.104030D+02
                26            27            28            29            30 
      1  -0.871931D+01  0.740648D+01  0.165920D+02 -0.105142D+01  0.139115D+01
      2   0.194653D+01 -0.283323D+01 -0.255821D+01  0.498981D+01  0.478800D+00
      3   0.677279D+01 -0.457326D+01 -0.140338D+02 -0.393839D+01 -0.186995D+01
      4   0.269210D+01  0.652950D+01  0.243722D+02  0.128341D+01 -0.183092D+01
      5   0.507911D+01 -0.554021D+01  0.444220D+01 -0.133115D+01  0.643987D+01
      6   0.107666D+01  0.100745D+02  0.336444D+01 -0.114741D+01  0.442479D+01
                31            32            33            34            35 
      1  -0.152733D+01 -0.717514D+00  0.759574D+01 -0.766238D+01  0.993093D+01
      2   0.697716D+01  0.448607D+01 -0.241677D+01  0.120073D+01  0.164912D+01
      3  -0.544984D+01 -0.376856D+01 -0.517897D+01  0.646164D+01 -0.115800D+02
      4   0.142731D+02  0.268909D+00  0.171153D+01  0.115040D+02  0.501021D+01
      5   0.118043D+02  0.866508D+00  0.186902D+00 -0.179036D+02  0.207805D+01
      6  -0.812956D+00  0.370418D+01  0.557125D+01 -0.156331D+01  0.231389D+01
                36            37            38            39            40 
      1  -0.185346D+02  0.596282D+01 -0.126189D+02  0.205195D+02  0.361081D+01
      2   0.338555D+01  0.756296D+00  0.112273D+02 -0.119284D+02  0.479143D+01
      3   0.151491D+02 -0.671911D+01  0.139156D+01 -0.859103D+01 -0.840224D+01
      4   0.841508D+00 -0.101979D+02 -0.123423D+01  0.342889D+01  0.146528D+02
      5  -0.505530D+00  0.110552D+02  0.234933D+01 -0.108299D+02 -0.325332D+01
      6  -0.679120D+01 -0.620726D+00 -0.541492D+01  0.614742D+01 -0.502965D+00
                41            42            43            44            45 
      1  -0.103796D+02 -0.727743D+01 -0.171996D+02 -0.474423D+01  0.791945D+01
      2   0.159873D+02 -0.997125D+01  0.156340D+01 -0.242916D+01 -0.879888D+00
      3  -0.560762D+01  0.172487D+02  0.156362D+02  0.717339D+01 -0.703956D+01
      4   0.676722D+01 -0.283125D+01 -0.370569D+01 -0.136110D+01 -0.607296D+01
      5  -0.168922D+01 -0.114957D+01  0.657924D+01 -0.539380D+01  0.810123D+01
      6  -0.646331D+01  0.521992D+01 -0.910651D+01  0.431859D+00  0.826431D+01
                46            47            48            49            50 
      1  -0.551704D+01  0.998838D+01 -0.224461D+02 -0.181142D+01 -0.135548D+02
      2   0.165973D+01 -0.692972D+01  0.678921D+01 -0.752808D+01  0.226033D+02
      3   0.385732D+01 -0.305866D+01  0.156569D+02  0.933950D+01 -0.904848D+01
      4   0.116262D+02 -0.174482D-01  0.492968D+01  0.855869D+01 -0.716491D+01
      5  -0.106351D+02  0.524018D+01 -0.961092D+00  0.926363D+01  0.307685D+01
      6   0.378241D+01  0.391714D+01 -0.486806D+01 -0.111554D+01 -0.556050D+01
                51            52            53            54            55 
      1   0.587373D+01  0.335997D+02 -0.367939D+01  0.110521D+02 -0.276899D+02
      2  -0.117365D+02 -0.100134D+02 -0.578961D-01 -0.653088D+01  0.129874D+02
      3   0.586273D+01 -0.235863D+02  0.373729D+01 -0.452121D+01  0.147025D+02
      4   0.168015D+01 -0.435080D+01 -0.634406D+00  0.720123D+01 -0.799542D+01
      5   0.738968D+01  0.564785D+01  0.670899D+01 -0.484223D+01 -0.499566D+01
      6   0.379233D+01  0.108702D+02 -0.351647D+01  0.685301D+01  0.115699D+01
                56            57            58            59            60 
      1  -0.112719D+02 -0.569553D+01 -0.327217D+02 -0.242384D+02  0.118906D+01
      2   0.827373D+01  0.392577D+00  0.238433D+02  0.552435D+01  0.589402D+01
      3   0.299815D+01  0.530295D+01  0.887844D+01  0.187140D+02 -0.708308D+01
      4  -0.259115D+02  0.113465D+01 -0.453983D+02  0.131028D+02 -0.147204D+02
      5   0.809746D+00 -0.113146D+02 -0.741542D+00 -0.141422D+02  0.137147D+02
      6   0.297223D+00  0.172494D+01  0.583310D+00  0.388135D+01 -0.463852D+01
                61            62            63            64            65 
      1  -0.153937D+02  0.360320D+00 -0.157974D+01 -0.805485D+02  0.292105D+02
      2  -0.106507D+01  0.788931D+01  0.673320D+01  0.438162D+02 -0.134898D+02
      3   0.164588D+02 -0.824963D+01 -0.515346D+01  0.367323D+02 -0.157208D+02
      4  -0.904657D+00 -0.193892D+02  0.235217D+02  0.281928D+02  0.223031D+02
      5  -0.226254D+02  0.203617D+02  0.346695D+02  0.242650D+02 -0.296411D+01
      6   0.101185D+02 -0.514008D+01 -0.110662D+02  0.778789D+00 -0.294799D+01
                66            67            68            69            70 
      1   0.239242D+02  0.608143D+02  0.236136D+02 -0.743447D+01  0.352641D+02
      2  -0.134981D+02 -0.287250D+02 -0.116379D+02  0.761937D+01 -0.146778D+02
      3  -0.104261D+02 -0.320893D+02 -0.119757D+02 -0.184897D+00 -0.205863D+02
      4  -0.172533D+01  0.294955D+02  0.741234D+01  0.223347D+02  0.306803D+01
      5   0.511277D+01 -0.209821D+01  0.235472D+02 -0.190233D+02 -0.882029D+00
      6   0.132835D+01  0.151706D+01  0.613728D+01 -0.399336D+01 -0.264710D+01
                71            72            73            74            75 
      1  -0.335866D+01  0.177831D+01  0.354381D+02 -0.226234D+02 -0.192466D+02
      2   0.715313D+01 -0.408446D+00 -0.183739D+02  0.533797D+01  0.103253D+02
      3  -0.379447D+01 -0.136986D+01 -0.170643D+02  0.172854D+02  0.892127D+01
      4   0.216074D+02 -0.151065D+02 -0.211947D+02 -0.303058D+02 -0.509948D+01
      5  -0.155573D+02 -0.311645D+02 -0.113601D+02 -0.724206D+01 -0.162311D+02
      6  -0.483310D+01 -0.464422D+01 -0.140298D+02 -0.873899D+01 -0.129824D+00
                76            77            78            79            80 
      1  -0.298229D+02 -0.263207D+02 -0.140340D+01 -0.226168D+02  0.113090D+01
      2   0.735442D+01  0.176511D+02 -0.107379D+02  0.107693D+02 -0.107402D+02
      3   0.224684D+02  0.866967D+01  0.121413D+02  0.118475D+02  0.960932D+01
      4  -0.391063D+02 -0.944014D+01 -0.351127D+02 -0.198953D+01 -0.261301D+02
      5  -0.821795D+01 -0.413252D+02  0.200770D+02 -0.907592D+01  0.182239D+02
      6  -0.139401D+02 -0.460528D+01 -0.101948D+02  0.195063D+01 -0.828911D+01
                81            82            83            84            85 
      1  -0.933551D+01  0.338615D+02 -0.211453D+02 -0.124498D+02 -0.314545D+02
      2  -0.121672D+01 -0.339871D+02  0.785936D-01  0.627265D+01  0.247395D+01
      3   0.105522D+02  0.125574D+00  0.210667D+02  0.617720D+01  0.289805D+02
      4   0.159094D+02 -0.182732D+02 -0.374914D+02 -0.813230D+00 -0.397218D+02
      5   0.151966D+02 -0.147443D+02  0.579090D+01 -0.396586D+01  0.410135D+01
      6   0.123506D+02  0.611113D+00  0.431698D+01 -0.270701D+01  0.290058D+01
                86            87            88            89            90 
      1  -0.273457D+02  0.848680D+01 -0.140239D+02  0.243513D+01  0.169897D+01
      2   0.154974D+01 -0.650335D+01  0.176024D+01 -0.727135D+01  0.216206D+02
      3   0.257960D+02 -0.198346D+01  0.122637D+02  0.483621D+01 -0.233196D+02
      4  -0.294348D+02 -0.149994D+02 -0.105784D+02 -0.217255D+02  0.998659D+01
      5  -0.128295D+02  0.187945D+02 -0.260951D+01  0.129087D+02  0.456309D+02
      6  -0.676021D+01  0.101159D+02 -0.103680D+01  0.960241D+01  0.104936D+02
                91            92            93            94            95 
      1   0.107511D+02 -0.568417D+01 -0.215211D+01 -0.117833D+02 -0.155603D+02
      2  -0.832105D+01 -0.110300D+01 -0.539867D+00  0.591025D+01  0.657555D+01
      3  -0.243009D+01  0.678717D+01  0.269198D+01  0.587308D+01  0.898475D+01
      4  -0.212924D+02 -0.129560D+02 -0.710616D+01 -0.363606D+02  0.146378D+02
      5  -0.751263D+01 -0.638836D+01 -0.808383D+01 -0.123989D+02 -0.190942D+01
      6  -0.420014D+01 -0.202808D+01 -0.397119D+01 -0.213615D+01 -0.452911D+01
                96            97            98            99           100 
      1  -0.680684D+01 -0.157057D+02 -0.871190D+01 -0.139741D+01 -0.570450D+01
      2   0.455651D+00  0.381807D+00 -0.784066D+00  0.737258D+01  0.405843D+00
      3   0.635119D+01  0.153239D+02  0.949597D+01 -0.597517D+01  0.529865D+01
      4  -0.142213D+01 -0.179096D+02 -0.121030D+02 -0.152250D+02  0.136622D+02
      5  -0.126276D+02 -0.143195D+02 -0.141591D+02  0.287695D+02 -0.160549D+02
      6  -0.236052D+01 -0.732508D+01 -0.262680D+01  0.849646D+01  0.542225D+01
               101           102           103           104           105 
      1   0.609903D+01 -0.751911D+01  0.194061D+02  0.250503D+01  0.970998D+01
      2   0.128044D+00  0.544119D+01 -0.133935D+02  0.200569D+01 -0.268154D+01
      3  -0.622707D+01  0.207792D+01 -0.601258D+01 -0.451072D+01 -0.702844D+01
      4  -0.393419D+01  0.713522D+01 -0.399175D+01 -0.129444D+02 -0.380931D+01
      5   0.623748D+01 -0.283860D+01  0.782302D+01 -0.347911D+01  0.244110D+02
      6  -0.585003D+01  0.555932D+01 -0.170217D+01 -0.135119D+01 -0.157849D+02
               106           107           108           109           110 
      1  -0.225819D+02  0.991307D+01 -0.402612D+01  0.424739D+02 -0.126816D+02
      2   0.774450D+01  0.359856D+01  0.257073D+01 -0.195578D+02  0.339323D+01
      3   0.148374D+02 -0.135116D+02  0.145539D+01 -0.229161D+02  0.928836D+01
      4   0.200710D+02 -0.195601D+02  0.202144D+02 -0.249696D+02  0.212079D+02
      5  -0.187091D+02  0.180342D+02 -0.227365D+02  0.296460D+02 -0.621497D+01
      6   0.108803D+02 -0.179282D+02  0.589942D+01 -0.112064D+02  0.413602D+01
               111           112           113           114           115 
      1   0.229246D+02 -0.159637D+02  0.321282D+01 -0.163029D+01  0.378852D+02
      2  -0.134889D+02  0.237033D+01  0.910017D+01 -0.163618D+01 -0.179115D+02
      3  -0.943572D+01  0.135934D+02 -0.123130D+02  0.326646D+01 -0.199738D+02
      4  -0.103422D+02  0.257774D+02 -0.245500D+02  0.175191D+02 -0.243823D+02
      5   0.217742D+02 -0.120245D+02  0.167885D+02 -0.196693D+02  0.339708D+02
      6  -0.770785D+01  0.610543D+01 -0.118144D+02  0.181215D+02 -0.113047D+02
               116           117           118           119           120 
      1  -0.326667D+01  0.967024D+01 -0.289238D+00 -0.942097D+01 -0.119408D+02
      2  -0.529401D+01 -0.136840D+02 -0.276327D+01  0.116105D+02  0.739127D+01
      3   0.856068D+01  0.401379D+01  0.305251D+01 -0.218948D+01  0.454949D+01
      4   0.323912D+02 -0.184999D+02  0.120223D+01 -0.518311D+01  0.337848D+01
      5  -0.168057D+02  0.560779D+02 -0.718177D+01 -0.109818D+01  0.560994D+01
      6   0.165947D+02 -0.277420D+02  0.362038D+01  0.544771D+01  0.158905D+01
               121           122           123           124           125 
      1  -0.507442D+01 -0.330663D+01 -0.529558D+01 -0.121515D+02 -0.839536D+01
      2   0.126334D+02 -0.174781D+02  0.150535D+01  0.655319D+01  0.794558D+01
      3  -0.755900D+01  0.207847D+02  0.379024D+01  0.559832D+01  0.449778D+00
      4  -0.800335D+01  0.402084D+02 -0.224069D+01  0.120358D+02 -0.161063D+02
      5   0.164353D+01 -0.164081D+01 -0.476074D+01  0.159700D+02 -0.161010D+02
      6   0.302105D+01  0.874356D+00  0.103789D+02 -0.580383D+01  0.202645D+02
               126           127           128           129           130 
      1  -0.103373D+02 -0.215989D+00  0.578292D+00  0.282429D+01 -0.215272D+01
      2  -0.630588D+01 -0.522729D+01 -0.147951D+01  0.554511D+01 -0.653564D+00
      3   0.166432D+02  0.544328D+01  0.901220D+00 -0.836940D+01  0.280628D+01
      4  -0.142427D+02  0.138183D+01  0.240554D+01 -0.617589D+00  0.139924D+01
      5  -0.315735D+02 -0.887425D+01 -0.228031D+01  0.114110D+02 -0.225630D+01
      6   0.227011D+02  0.474097D+00 -0.153937D+01 -0.125266D+01 -0.112127D+01
               131           132           133           134           135 
      1  -0.290033D+01  0.707360D+01  0.310353D+01  0.372066D+01 -0.220187D+02
      2  -0.595089D+00  0.314017D+01  0.702497D+01  0.235794D+01 -0.155633D+02
      3   0.349542D+01 -0.102138D+02 -0.101285D+02 -0.607860D+01  0.375820D+02
      4   0.100063D+01 -0.135222D+01 -0.205851D+01 -0.350680D+01  0.239556D+01
      5  -0.247883D+01  0.366658D+01  0.121795D+02  0.408266D+01 -0.194523D+02
      6  -0.266735D+01  0.174542D+01  0.554151D+00  0.533743D+01 -0.101896D+01
               136           137           138           139           140 
      1   0.291717D+01  0.385626D+00 -0.185496D+01  0.745150D+00 -0.183808D+01
      2  -0.526307D+01  0.832967D+00 -0.418815D+01  0.211273D+01 -0.396220D+00
      3   0.234591D+01 -0.121859D+01  0.604311D+01 -0.285788D+01  0.223430D+01
      4  -0.157809D+01  0.356619D+01 -0.102135D+01  0.234787D+01 -0.277112D+01
      5   0.106064D+02 -0.291534D+01  0.950490D+01 -0.449970D+01  0.326950D+01
      6  -0.459428D+00  0.185879D+01 -0.941681D+00  0.624203D+00 -0.291648D+01
               141           142           143           144           145 
      1   0.497108D+01 -0.260967D+01  0.385899D+01 -0.120984D+02 -0.288087D+01
      2   0.241046D+01 -0.547283D+01  0.120364D+01 -0.833667D+01 -0.252301D+01
      3  -0.738153D+01  0.808251D+01 -0.506263D+01  0.204351D+02  0.540388D+01
      4   0.106542D+01 -0.196903D+01  0.306419D+01 -0.205022D+01  0.517750D+01
      5  -0.593469D+01  0.119069D+02 -0.428005D+01  0.147555D+02 -0.851391D+01
      6   0.219375D+01 -0.198360D+01  0.491506D+01 -0.342712D+01 -0.569349D+01
               146           147           148           149           150 
      1  -0.171416D+01  0.561097D+01 -0.234088D+01 -0.472495D+01  0.861018D+01
      2   0.363746D+00  0.285861D+01 -0.444220D+00  0.133558D+01  0.369020D+00
      3   0.135041D+01 -0.846958D+01  0.278510D+01  0.338937D+01 -0.897920D+01
      4   0.356186D+01 -0.534233D+01  0.216970D+01  0.175920D+01 -0.265414D+01
      5  -0.326965D+01  0.112217D+02 -0.287423D+01 -0.241619D+01  0.349753D+01
      6  -0.349815D+01  0.624262D+01 -0.277256D+01 -0.550901D+01  0.889248D+01
               151           152           153           154           155 
      1   0.709781D+01  0.108449D+02 -0.285096D+02  0.295636D+01  0.251872D+01
      2   0.192187D+01 -0.331213D+01 -0.533039D+01 -0.215797D+01 -0.317307D+01
      3  -0.901968D+01 -0.753280D+01  0.338399D+02 -0.798395D+00  0.654343D+00
      4  -0.590281D+01 -0.502900D+01  0.789546D+01 -0.105842D+02  0.806997D+01
      5   0.103816D+02  0.490512D+01 -0.162359D+02  0.152679D+02 -0.576863D+01
      6   0.833864D+01  0.129644D+02 -0.237306D+02 -0.846622D+01  0.609971D+01
               156           157           158           159           160 
      1  -0.119389D+01 -0.256652D-01 -0.394330D+01  0.479592D+01 -0.349492D+01
      2  -0.143890D+01  0.550025D+00  0.250365D+01 -0.479817D+00 -0.150539D+01
      3   0.263278D+01 -0.524360D+00  0.143964D+01 -0.431610D+01  0.500032D+01
      4  -0.812839D+01  0.567192D+01 -0.612229D+01  0.608064D+01 -0.867991D+01
      5   0.133727D+02 -0.751192D+01  0.529988D+01 -0.863276D+01  0.145578D+02
      6  -0.845467D+01  0.563157D+01 -0.667514D+01  0.889148D+01 -0.101899D+02
               161           162           163           164           165 
      1   0.803625D+01 -0.133003D+02  0.801301D+01 -0.207172D+01 -0.792500D+01
      2  -0.481267D+01 -0.128987D+01 -0.708085D+01  0.561206D+00  0.590959D+01
      3  -0.322358D+01  0.145902D+02 -0.932155D+00  0.151051D+01  0.201541D+01
      4   0.782588D+01 -0.104051D+02 -0.531763D+01  0.928590D+01  0.596808D+01
      5  -0.770769D+01  0.191803D+02 -0.145269D+02  0.424807D+01  0.148069D+02
      6   0.120848D+02 -0.180184D+02  0.425285D+01 -0.175755D+01 -0.308057D+01
               166           167           168           169           170 
      1   0.424791D+01  0.941831D+00 -0.262137D+01 -0.150896D+02 -0.451444D+01
      2  -0.317235D+01  0.511574D+00  0.109721D+01  0.132764D+02  0.788426D+00
      3  -0.107556D+01 -0.145340D+01  0.152417D+01  0.181313D+01  0.372601D+01
      4   0.109679D+02 -0.908572D+01 -0.856468D+01  0.119676D+02 -0.141960D+02
      5   0.423915D+01 -0.864609D+01 -0.908549D+01  0.266564D+02 -0.175677D+02
      6  -0.308300D+01  0.592940D+01  0.890768D+01 -0.893744D+01  0.116597D+02
               171           172           173           174           175 
      1  -0.476240D+01  0.188189D+02 -0.927566D+01  0.593708D+01 -0.110485D+02
      2  -0.115777D+02 -0.351342D+01 -0.743893D+00 -0.154202D+01 -0.351857D+01
      3   0.163401D+02 -0.153055D+02  0.100196D+02 -0.439506D+01  0.145671D+02
      4  -0.207094D+02 -0.212090D+02  0.240936D+02 -0.499372D+01  0.315118D+02
      5  -0.481966D+02  0.805034D+01 -0.295407D+01  0.706450D+01 -0.418362D+01
      6   0.190213D+02 -0.251969D+01  0.224394D+00 -0.170583D+01  0.157170D+01
               176           177           178           179           180 
      1   0.339883D+01 -0.424587D+00  0.172169D+02 -0.201198D+00  0.210074D+01
      2   0.174967D+02 -0.405868D+01 -0.449337D+01 -0.699102D+01  0.371907D+00
      3  -0.208955D+02  0.448327D+01 -0.127236D+02  0.719222D+01 -0.247265D+01
      4  -0.450982D+02  0.109363D+02 -0.140050D+02  0.217759D+02 -0.127403D+02
      5   0.975699D+01 -0.847998D+01  0.928659D+01 -0.110968D+02  0.699362D+01
      6  -0.343848D+01  0.523009D+01 -0.383939D+01  0.571177D+01 -0.373826D+01
               181           182           183           184           185 
      1   0.135861D+03 -0.171410D+02 -0.171764D+02 -0.258613D+02  0.133685D+02
      2  -0.692706D+02  0.893243D+01  0.866383D+01  0.128540D+02 -0.507526D+01
      3  -0.665906D+02  0.820861D+01  0.851254D+01  0.130073D+02 -0.829326D+01
      4  -0.137611D+02  0.139006D+02  0.181938D+01  0.164151D+02 -0.869704D+01
      5  -0.206918D+02  0.254513D+01  0.171520D+02  0.254611D+01 -0.636991D+01
      6   0.970051D+00 -0.126281D+01  0.115635D+01 -0.149965D+01  0.236159D-01
               186           187           188           189           190 
      1   0.298088D+01 -0.204053D+02  0.209908D+01  0.163146D+02  0.334590D+02
      2  -0.210624D+01  0.115430D+02 -0.196992D+01 -0.100895D+02 -0.150008D+02
      3  -0.874638D+00  0.886232D+01 -0.129166D+00 -0.622513D+01 -0.184582D+02
      4  -0.583885D+01  0.578868D+00 -0.565949D+01 -0.550858D+00  0.318963D+02
      5  -0.101631D+01  0.225457D+02 -0.817765D+00 -0.526249D+01  0.262437D+02
      6   0.230192D+01  0.992423D-01  0.244762D+01  0.792237D+00  0.117278D+02
               191           192           193           194           195 
      1   0.200169D+02  0.130606D+02  0.257370D+02  0.153840D+02  0.628876D+01
      2  -0.550388D+01 -0.934838D+01 -0.758642D+01  0.154255D+01 -0.371971D+01
      3  -0.145131D+02 -0.371217D+01 -0.181506D+02 -0.169265D+02 -0.256905D+01
      4   0.299335D+02  0.128365D+02  0.377720D+02  0.449618D+02  0.220995D+02
      5   0.159826D+02  0.214891D+02  0.235645D+02  0.257737D+02  0.211161D+02
      6   0.108999D+02  0.764007D+01  0.142535D+02  0.190316D+02  0.139796D+02
               196           197           198           199           200 
      1   0.802007D+01  0.237422D+01  0.677711D+01  0.103458D+02 -0.643927D+01
      2  -0.648759D+01 -0.205664D+01 -0.568303D+01 -0.857911D+01  0.552763D+01
      3  -0.153248D+01 -0.317577D+00 -0.109408D+01 -0.176665D+01  0.911636D+00
      4   0.969419D+01  0.120547D+02  0.114149D+02 -0.717890D+01  0.126307D+02
      5   0.176702D+02  0.119408D+02  0.140858D+02  0.160852D+02 -0.785836D+01
      6   0.681037D+01  0.970355D+01  0.709852D+01 -0.162603D+01  0.429521D+01
               201           202           203           204           205 
      1   0.114634D+02 -0.124574D+02  0.660197D+01 -0.378324D+01  0.105708D+02
      2  -0.101873D+02  0.107229D+02 -0.826452D+01  0.137390D+02 -0.108117D+02
      3  -0.127612D+01  0.173450D+01  0.166255D+01 -0.995574D+01  0.240868D+00
      4  -0.565036D+01  0.136294D+02 -0.281345D+02  0.211175D+02 -0.574957D+01
      5   0.172707D+02 -0.159168D+02  0.238257D+02 -0.316608D+02  0.181487D+02
      6  -0.183006D+01  0.515706D+01 -0.126521D+02  0.932914D+01 -0.243390D+01
               206           207           208           209           210 
      1  -0.148147D+01  0.251503D+01 -0.470318D+02  0.852845D+01  0.132755D+02
      2   0.908246D+01 -0.168131D+02  0.230120D+02 -0.488444D+01 -0.157334D+01
      3  -0.760098D+01  0.142981D+02  0.240198D+02 -0.364400D+01 -0.117022D+02
      4   0.162882D+02 -0.169336D+02 -0.487421D+01 -0.362192D+01 -0.164451D+01
      5  -0.185430D+02  0.328462D+02 -0.105730D+02 -0.170481D+01 -0.827400D+01
      6   0.936533D+01 -0.761320D+01  0.515811D+01 -0.547516D+01 -0.654892D+01
               211           212           213           214           215 
      1   0.632708D+01 -0.821669D+01 -0.581719D+01  0.937909D+01 -0.379144D+01
      2  -0.309051D+01  0.488720D+01  0.340893D+01 -0.169204D+01  0.181177D+01
      3  -0.323657D+01  0.332949D+01  0.240826D+01 -0.768705D+01  0.197967D+01
      4   0.859831D+00  0.263082D+01  0.509556D+01 -0.745143D-01  0.351563D+01
      5   0.164890D-01  0.415207D+01  0.622944D+00  0.751457D+00 -0.111520D+01
      6  -0.248952D+01  0.369672D+01  0.492086D+01 -0.354638D+01  0.408171D+01
               216           217           218           219           220 
      1  -0.102159D+02 -0.381510D+02  0.160668D+02  0.111807D+01  0.161968D+02
      2   0.124963D+01  0.267613D+02 -0.148029D+02 -0.180783D+01 -0.996398D+01
      3   0.896629D+01  0.113897D+02 -0.126396D+01  0.689759D+00 -0.623285D+01
      4  -0.116698D+01 -0.896818D+01 -0.236930D+01  0.283633D+01  0.942102D+01
      5   0.278168D+01  0.102547D+02 -0.390146D+00 -0.587553D+01 -0.407678D+01
      6   0.222969D+01 -0.209136D+00  0.297391D+01 -0.474843D+01  0.148054D-01
               221           222           223           224           225 
      1  -0.678362D+01 -0.731437D+00  0.519993D+01 -0.315685D+01 -0.557654D+01
      2   0.112183D+02  0.863079D+00 -0.341861D+01  0.398157D+01  0.536293D+00
      3  -0.443464D+01 -0.131642D+00 -0.178132D+01 -0.824717D+00  0.504025D+01
      4   0.837883D+01 -0.196703D+00  0.114195D+01  0.362757D+01 -0.138452D+01
      5   0.113057D+01  0.260220D+00 -0.158031D+01  0.851587D-01 -0.238823D+01
      6  -0.195219D+01  0.126438D+01 -0.243229D+01  0.129836D+01 -0.251887D+00
               226           227           228           229           230 
      1   0.659012D+00  0.217615D+01 -0.784146D+01 -0.112356D+01  0.507963D+00
      2  -0.235090D+01  0.266521D+00  0.622029D+01  0.238510D+01 -0.171231D+01
      3   0.169189D+01 -0.244267D+01  0.162117D+01 -0.126154D+01  0.120435D+01
      4   0.302006D+01  0.625990D+01 -0.265819D+01  0.406874D+01 -0.292772D+00
      5  -0.973584D+01 -0.124794D+01  0.125827D+02  0.115765D+01 -0.521920D+01
      6  -0.247858D+01 -0.128275D+01  0.169100D+01 -0.779582D+00  0.532481D-01
               231           232           233           234           235 
      1  -0.225429D-01 -0.893554D+01  0.210088D+01 -0.127836D+02  0.257906D+02
      2  -0.461761D+01  0.848310D+01 -0.390497D+01 -0.236504D+02 -0.635281D+00
      3   0.464015D+01  0.452439D+00  0.180409D+01  0.364340D+02 -0.251553D+02
      4  -0.442062D+01 -0.531571D+01 -0.927704D+01  0.413156D+01  0.379716D+02
      5  -0.910339D+01  0.163250D+02  0.362335D+01 -0.656651D+02 -0.324538D+01
      6   0.320049D+01  0.414864D+01  0.788734D+01 -0.235749D+02 -0.278044D+01
               236           237           238           239           240 
      1   0.184840D+02  0.220321D+01  0.188751D+02  0.105498D+02 -0.162864D+00
      2   0.559163D+01  0.394565D-01  0.683885D+01  0.251093D+02  0.132545D+01
      3  -0.240757D+02 -0.224267D+01 -0.257139D+02 -0.356591D+02 -0.116259D+01
      4   0.418775D+02 -0.102019D+01  0.444825D+02  0.640771D+02 -0.561473D+00
      5  -0.495850D+01  0.935132D+01 -0.510367D+01 -0.395000D+01  0.711860D+01
      6  -0.451470D+01  0.534787D+01 -0.437978D+01 -0.736146D+01  0.610137D+01
               241           242           243           244           245 
      1   0.709690D+01  0.186417D+01  0.336722D+01  0.730140D+00  0.335182D+01
      2   0.112365D+00  0.518626D+01 -0.125480D+01 -0.391750D+01 -0.150472D+01
      3  -0.720926D+01 -0.705043D+01 -0.211242D+01  0.318736D+01 -0.184711D+01
      4   0.844303D+01  0.133080D+02  0.705320D+01  0.589822D+01  0.513932D+01
      5   0.684187D+01  0.552668D+01 -0.823049D+00 -0.112845D+02 -0.128970D+01
      6   0.397599D+01  0.424687D+01  0.619660D+00 -0.346913D+01 -0.375883D+00
               246           247           248           249           250 
      1  -0.635475D+01  0.414312D+01  0.329044D-01  0.213152D+01 -0.816217D+01
      2   0.496926D+01 -0.175986D+01 -0.609047D-01 -0.437785D+00  0.843713D+01
      3   0.138549D+01 -0.238326D+01  0.280004D-01 -0.169374D+01 -0.274960D+00
      4  -0.232137D+01  0.860324D+01  0.432212D+01 -0.698278D+01 -0.431126D+01
      5   0.116156D+02 -0.196951D+01 -0.700669D+01  0.821790D+01  0.164734D+02
      6   0.201850D+01 -0.162423D+01 -0.385243D+01  0.659193D+01  0.308065D+01
               251           252           253           254           255 
      1   0.221047D+01 -0.569720D+01 -0.784534D+02 -0.799100D+01  0.933638D+01
      2   0.530186D+00 -0.126328D+02  0.402365D+02  0.126662D+02 -0.582459D+01
      3  -0.274065D+01  0.183300D+02  0.382170D+02 -0.467517D+01 -0.351180D+01
      4  -0.104222D+02  0.879934D+01 -0.138569D+02  0.234732D+02  0.816669D+01
      5   0.736547D+01 -0.394753D+02  0.116786D+02  0.491517D+01  0.956946D+01
      6   0.615289D+01 -0.113299D+02  0.842997D+01  0.374266D+01  0.379883D+01
               256           257           258           259           260 
      1   0.142340D+02  0.339685D+02  0.570749D+00  0.269222D+02  0.187575D+01
      2  -0.618974D+00 -0.348316D+02 -0.344092D+00 -0.973752D+01  0.314259D+01
      3  -0.136151D+02  0.863114D+00 -0.226657D+00 -0.171847D+02 -0.501834D+01
      4   0.325588D+02 -0.161499D+02  0.104504D+02  0.201570D+02  0.175630D+02
      5   0.106566D+02  0.131834D+02  0.123392D+02  0.150184D+02  0.110858D+02
      6   0.648436D+01  0.377468D+01  0.636403D+01  0.741979D+01  0.692826D+01
               261           262           263           264           265 
      1   0.124907D+02  0.305701D+01 -0.578102D+01 -0.125132D+01 -0.323793D+01
      2   0.597228D+01  0.361220D+01 -0.325461D+01 -0.329896D+00 -0.776014D+01
      3  -0.184630D+02 -0.666920D+01  0.903563D+01  0.158121D+01  0.109981D+02
      4   0.143221D+02 -0.119717D+02  0.182714D+02  0.375547D+01  0.225957D+02
      5  -0.259778D+02 -0.431555D+01  0.504139D+01  0.324934D+01  0.595493D+01
      6  -0.795200D+01  0.321526D+01 -0.378917D+01 -0.148681D+01 -0.510623D+01
               266           267           268           269           270 
      1  -0.141040D+02 -0.395430D+01  0.325199D+00  0.424976D+00 -0.187216D+01
      2   0.406003D+02  0.570259D+01  0.236500D+01 -0.752005D+01  0.176780D+01
      3  -0.264963D+02 -0.174829D+01 -0.269020D+01  0.709507D+01  0.104361D+00
      4  -0.597100D+02 -0.117355D+02 -0.360489D+01  0.940942D+01 -0.311005D+01
      5  -0.138209D+02 -0.105990D+02  0.165680D+01 -0.294092D+01 -0.289811D+01
      6   0.177590D+02  0.876343D+01 -0.936993D+00  0.366813D+01  0.212967D+01
               271           272           273           274           275 
      1   0.124059D+03  0.109047D+02 -0.490014D+01 -0.494547D+01  0.672353D+01
      2  -0.585106D+02 -0.138659D+01  0.196703D+01  0.529401D+01 -0.320753D+00
      3  -0.655488D+02 -0.951812D+01  0.293311D+01 -0.348542D+00 -0.640277D+01
      4   0.439866D+02  0.187111D+02 -0.173896D+00  0.116033D+02  0.531947D+01
      5   0.294754D+01  0.125144D+01  0.129516D+02 -0.944273D+00 -0.182325D+01
      6  -0.117678D+01  0.121384D+01  0.389217D+01  0.220710D-01 -0.245339D+00
               276           277           278           279           280 
      1   0.232415D+00 -0.172913D+02 -0.149622D+01  0.936388D+01  0.349484D+00
      2  -0.327905D+00  0.738796D+01 -0.727487D+00 -0.664101D+01  0.297357D+01
      3   0.954896D-01  0.990339D+01  0.222371D+01 -0.272287D+01 -0.332305D+01
      4  -0.206786D+01 -0.789778D+01 -0.547907D+01  0.219916D+01  0.311884D+01
      5  -0.153643D+01  0.130920D+02  0.206398D+00 -0.108432D+01 -0.232349D+01
      6  -0.102586D-01  0.351158D+01  0.711474D+00 -0.379618D+00 -0.915858D+00
               281           282           283           284           285 
      1   0.128795D+02 -0.131381D+01  0.108469D+02 -0.307605D+02 -0.380489D+00
      2  -0.138257D+02  0.922282D+00 -0.427255D+01  0.516613D+02 -0.664023D+00
      3   0.946219D+00  0.391527D+00 -0.657440D+01 -0.209008D+02  0.104451D+01
      4  -0.695998D+01 -0.190777D+01  0.991020D+01  0.511897D+02 -0.514934D-01
      5  -0.208861D+00 -0.258586D+01  0.130437D+01 -0.241980D+01  0.600965D+01
      6  -0.142173D+01 -0.227849D+01  0.441409D-01  0.453923D+01  0.670294D+01
               286           287           288           289           290 
      1  -0.520757D+01  0.135599D+01 -0.544451D+01  0.534177D+01  0.495426D+00
      2   0.165052D+01 -0.483960D+01  0.429479D+01 -0.563492D+01 -0.151932D+01
      3   0.355705D+01  0.348361D+01  0.114972D+01  0.293153D+00  0.102389D+01
      4  -0.446092D+01 -0.821172D+01  0.348035D+01 -0.849570D+00 -0.281836D+01
      5   0.449550D-01  0.462103D+01  0.432036D+00  0.350781D+01 -0.126529D+01
      6  -0.519027D+00  0.627131D+01 -0.483253D+00  0.204817D+00 -0.140864D+01
               291           292           293           294           295 
      1   0.555272D+01 -0.582080D+01 -0.569165D+01 -0.629951D+00  0.109931D+02
      2  -0.227920D+01  0.233068D+01  0.303549D+01  0.315806D+01 -0.682571D+01
      3  -0.327353D+01  0.349012D+01  0.265616D+01 -0.252811D+01 -0.416738D+01
      4   0.201254D+00 -0.343084D+01 -0.265738D+01  0.248849D+01  0.610893D+01
      5   0.849317D+00 -0.262217D+01  0.233793D+01 -0.544619D+01  0.105441D+02
      6  -0.972884D+00 -0.807167D+00  0.319356D-01  0.146319D+01  0.234290D+01
               296           297 
      1  -0.104088D+01 -0.110508D+02
      2   0.339320D+01 -0.133190D+02
      3  -0.235233D+01  0.243699D+02
      4   0.977897D+01  0.664548D+00
      5   0.153678D+01  0.434761D+02
      6   0.480652D+01  0.167024D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Wed Sep  8 14:24:08 2021, MaxMem=  6442450944 cpu:           50747.0 elap:            6347.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.31880 -19.26158 -10.44063 -10.32576 -10.31546
 Alpha  occ. eigenvalues --  -10.30860 -10.30393 -10.30384 -10.30173 -10.30123
 Alpha  occ. eigenvalues --  -10.30086 -10.29757 -10.29551 -10.28337 -10.28309
 Alpha  occ. eigenvalues --   -1.20943  -1.11655  -0.96739  -0.92049  -0.89380
 Alpha  occ. eigenvalues --   -0.84342  -0.83859  -0.77953  -0.77526  -0.76627
 Alpha  occ. eigenvalues --   -0.70681  -0.69896  -0.66534  -0.64740  -0.60525
 Alpha  occ. eigenvalues --   -0.59611  -0.57977  -0.56453  -0.55385  -0.54605
 Alpha  occ. eigenvalues --   -0.53693  -0.52047  -0.51612  -0.51129  -0.50818
 Alpha  occ. eigenvalues --   -0.50102  -0.47900  -0.46662  -0.46380  -0.45528
 Alpha  occ. eigenvalues --   -0.45412  -0.44513  -0.43049  -0.42222  -0.41848
 Alpha  occ. eigenvalues --   -0.41490  -0.41125  -0.39850  -0.37279  -0.33531
 Alpha  occ. eigenvalues --   -0.31847
 Alpha virt. eigenvalues --    0.04429   0.05098   0.07544   0.08006   0.08919
 Alpha virt. eigenvalues --    0.10036   0.10568   0.11432   0.12011   0.12466
 Alpha virt. eigenvalues --    0.13287   0.14478   0.14539   0.15218   0.16123
 Alpha virt. eigenvalues --    0.16297   0.16600   0.17015   0.18125   0.18456
 Alpha virt. eigenvalues --    0.18934   0.19584   0.20189   0.20457   0.20565
 Alpha virt. eigenvalues --    0.21088   0.21487   0.22296   0.22475   0.22904
 Alpha virt. eigenvalues --    0.23249   0.24258   0.24770   0.25003   0.25363
 Alpha virt. eigenvalues --    0.25743   0.26414   0.26741   0.26851   0.27574
 Alpha virt. eigenvalues --    0.27841   0.28358   0.28995   0.29514   0.29699
 Alpha virt. eigenvalues --    0.31055   0.31756   0.31922   0.32390   0.32815
 Alpha virt. eigenvalues --    0.33672   0.34206   0.34318   0.35075   0.35192
 Alpha virt. eigenvalues --    0.35348   0.36037   0.36479   0.36821   0.37084
 Alpha virt. eigenvalues --    0.37691   0.38045   0.38430   0.38812   0.39289
 Alpha virt. eigenvalues --    0.39843   0.40199   0.40358   0.40845   0.40973
 Alpha virt. eigenvalues --    0.41409   0.41874   0.42111   0.42408   0.43044
 Alpha virt. eigenvalues --    0.43330   0.43665   0.44117   0.44327   0.44605
 Alpha virt. eigenvalues --    0.44753   0.44930   0.45219   0.45359   0.45858
 Alpha virt. eigenvalues --    0.46090   0.46261   0.46702   0.47430   0.47765
 Alpha virt. eigenvalues --    0.47813   0.48092   0.48617   0.48962   0.49382
 Alpha virt. eigenvalues --    0.50006   0.50709   0.50753   0.51173   0.51352
 Alpha virt. eigenvalues --    0.51885   0.52181   0.52496   0.52877   0.53474
 Alpha virt. eigenvalues --    0.53703   0.54151   0.54453   0.54907   0.55617
 Alpha virt. eigenvalues --    0.55866   0.56630   0.57000   0.57201   0.57429
 Alpha virt. eigenvalues --    0.57708   0.58129   0.58645   0.59331   0.59466
 Alpha virt. eigenvalues --    0.60271   0.60330   0.60471   0.60948   0.61743
 Alpha virt. eigenvalues --    0.62129   0.62256   0.63208   0.63448   0.63898
 Alpha virt. eigenvalues --    0.64140   0.64590   0.64737   0.65696   0.66121
 Alpha virt. eigenvalues --    0.66222   0.66565   0.67001   0.67723   0.67866
 Alpha virt. eigenvalues --    0.68360   0.68774   0.69369   0.69929   0.70211
 Alpha virt. eigenvalues --    0.70489   0.71105   0.71597   0.71776   0.72287
 Alpha virt. eigenvalues --    0.73129   0.73288   0.74676   0.74957   0.75278
 Alpha virt. eigenvalues --    0.75878   0.76733   0.77063   0.78547   0.79105
 Alpha virt. eigenvalues --    0.79650   0.80102   0.80209   0.81144   0.81512
 Alpha virt. eigenvalues --    0.82121   0.82911   0.83812   0.84077   0.84276
 Alpha virt. eigenvalues --    0.85061   0.86170   0.86691   0.87302   0.88436
 Alpha virt. eigenvalues --    0.88816   0.89564   0.90735   0.91493   0.92589
 Alpha virt. eigenvalues --    0.92992   0.94097   0.95464   0.96570   0.98009
 Alpha virt. eigenvalues --    0.98368   0.98898   0.99972   1.01133   1.01379
 Alpha virt. eigenvalues --    1.02706   1.03152   1.04365   1.05636   1.06309
 Alpha virt. eigenvalues --    1.07869   1.07950   1.09079   1.10127   1.10627
 Alpha virt. eigenvalues --    1.11210   1.11703   1.12362   1.12808   1.13064
 Alpha virt. eigenvalues --    1.14425   1.14672   1.14919   1.15626   1.16340
 Alpha virt. eigenvalues --    1.16701   1.17587   1.18178   1.19286   1.20835
 Alpha virt. eigenvalues --    1.21513   1.23714   1.25085   1.26261   1.26566
 Alpha virt. eigenvalues --    1.27757   1.28839   1.29721   1.29970   1.31222
 Alpha virt. eigenvalues --    1.31933   1.32892   1.33159   1.33678   1.34411
 Alpha virt. eigenvalues --    1.35358   1.36398   1.36739   1.38859   1.39102
 Alpha virt. eigenvalues --    1.40587   1.42610   1.43952   1.45188   1.45555
 Alpha virt. eigenvalues --    1.46362   1.47814   1.49955   1.50339   1.52294
 Alpha virt. eigenvalues --    1.53522   1.53813   1.55116   1.56297   1.58550
 Alpha virt. eigenvalues --    1.60448   1.61643   1.62772   1.64380   1.64937
 Alpha virt. eigenvalues --    1.67564   1.68637   1.69668   1.70066   1.71671
 Alpha virt. eigenvalues --    1.73754   1.74197   1.75764   1.76229   1.77465
 Alpha virt. eigenvalues --    1.79097   1.80006   1.81491   1.82560   1.83610
 Alpha virt. eigenvalues --    1.84577   1.85553   1.86608   1.86925   1.87801
 Alpha virt. eigenvalues --    1.88874   1.90801   1.91205   1.91970   1.92976
 Alpha virt. eigenvalues --    1.94659   1.95716   1.96260   1.97219   1.97568
 Alpha virt. eigenvalues --    1.98748   1.99893   2.00675   2.02015   2.02105
 Alpha virt. eigenvalues --    2.03569   2.04458   2.05086   2.05443   2.05857
 Alpha virt. eigenvalues --    2.07245   2.08021   2.10177   2.10588   2.11429
 Alpha virt. eigenvalues --    2.12387   2.13795   2.14615   2.15214   2.15499
 Alpha virt. eigenvalues --    2.17351   2.18697   2.19492   2.20386   2.21305
 Alpha virt. eigenvalues --    2.21738   2.22681   2.23827   2.24772   2.25621
 Alpha virt. eigenvalues --    2.26465   2.27531   2.28647   2.30462   2.31407
 Alpha virt. eigenvalues --    2.32106   2.32775   2.34239   2.35581   2.37159
 Alpha virt. eigenvalues --    2.37434   2.40123   2.40619   2.43036   2.45695
 Alpha virt. eigenvalues --    2.46283   2.47485   2.49974   2.50081   2.51911
 Alpha virt. eigenvalues --    2.53046   2.53610   2.55592   2.56855   2.57673
 Alpha virt. eigenvalues --    2.58933   2.60384   2.63325   2.63986   2.65178
 Alpha virt. eigenvalues --    2.65751   2.68651   2.71688   2.71729   2.73111
 Alpha virt. eigenvalues --    2.75353   2.76314   2.77336   2.77648   2.78153
 Alpha virt. eigenvalues --    2.79536   2.80589   2.82017   2.83552   2.88134
 Alpha virt. eigenvalues --    2.94136   2.95762   2.96663   2.98783   3.01394
 Alpha virt. eigenvalues --    3.02198   3.03096   3.05194   3.08446   3.09328
 Alpha virt. eigenvalues --    3.09765   3.14110   3.14335   3.15240   3.16772
 Alpha virt. eigenvalues --    3.18250   3.19090   3.22304   3.22712   3.25251
 Alpha virt. eigenvalues --    3.26162   3.27885   3.29623   3.30536   3.32737
 Alpha virt. eigenvalues --    3.33470   3.34150   3.36877   3.46269   3.47869
 Alpha virt. eigenvalues --    3.72127   3.76013   3.91731   4.04444
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    8.832356  -1.519430  -1.305292   0.703248   0.194729   0.131675
     2  C   -1.519430  13.272404   0.688312  -0.730613   0.763775  -1.645747
     3  C   -1.305292   0.688312   9.108283  -1.644203  -0.049185   0.260319
     4  C    0.703248  -0.730613  -1.644203  12.645402  -1.616047   0.960338
     5  C    0.194729   0.763775  -0.049185  -1.616047   9.793731  -1.368305
     6  C    0.131675  -1.645747   0.260319   0.960338  -1.368305   8.857224
     7  C   -1.209338   0.695754   0.024841   0.127494   0.041739  -1.268321
     8  C   -0.082767   0.223267   0.012659  -0.001960   0.011280  -0.086072
     9  C    0.002178  -0.058400   0.000733  -0.003789   0.005513  -0.047228
    10  C   -0.036593  -0.060430   0.004182  -0.004516   0.000007   0.006611
    11  C    0.005597   0.132305  -0.896823   0.481333  -1.133615   0.038488
    12  C   -0.000196   0.006314  -0.172773   0.112196  -0.132533   0.001161
    13  O    0.010525   0.001509   0.007709  -0.065501   0.020085   0.001321
    14  O   -0.000601   0.000294   0.003098  -0.003955   0.008298  -0.000568
    15  H    0.619320  -1.880422  -0.791398   0.070285   0.147524   0.100849
    16  H   -0.543651  -0.031488   0.651197  -1.551287   0.097578   0.139382
    17  H    0.169799  -0.035123   0.149727  -1.773727   0.669827  -0.790453
    18  H    0.087509  -1.868583   0.140235   0.030702  -0.885828   0.832496
    19  H    0.013528  -0.075623  -0.001011  -0.002033   0.005595   0.094247
    20  H    0.084460  -0.057041   0.005738  -0.003074  -0.005106   0.013541
    21  H    0.048127   0.041126  -0.002216  -0.000047  -0.002068   0.046834
    22  H    0.000650   0.009688  -0.000449   0.000205   0.000133   0.003149
    23  H    0.000865  -0.057017   0.000513  -0.000689  -0.005412   0.011122
    24  H   -0.002610   0.035462   0.001955   0.001376   0.006673   0.001568
    25  H    0.014667   0.024055   0.002390   0.001601   0.002435   0.001973
    26  H    0.017814  -0.059491  -0.006592  -0.000447   0.000310   0.001405
    27  H   -0.000808   0.011023   0.000852   0.000189  -0.000403  -0.000300
    28  H    0.015658  -0.000188   0.087558  -0.293215  -0.083717   0.011910
    29  C   -0.006916   0.004916  -0.049453  -0.002192  -0.026585   0.002148
    30  H   -0.000415  -0.000356  -0.000287   0.000360   0.000852  -0.000315
    31  H   -0.001204  -0.000191   0.002633   0.002214  -0.010599   0.000019
    32  H    0.000273   0.002608  -0.007235  -0.049221   0.030345  -0.002921
    33  H    0.004334   0.000988  -0.009902  -0.015543  -0.005379   0.000409
               7          8          9         10         11         12
     1  C   -1.209338  -0.082767   0.002178  -0.036593   0.005597  -0.000196
     2  C    0.695754   0.223267  -0.058400  -0.060430   0.132305   0.006314
     3  C    0.024841   0.012659   0.000733   0.004182  -0.896823  -0.172773
     4  C    0.127494  -0.001960  -0.003789  -0.004516   0.481333   0.112196
     5  C    0.041739   0.011280   0.005513   0.000007  -1.133615  -0.132533
     6  C   -1.268321  -0.086072  -0.047228   0.006611   0.038488   0.001161
     7  C    7.373534   0.142864   0.056571   0.046452  -0.002958  -0.000324
     8  C    0.142864   5.663780   0.352343   0.359380   0.000001   0.000213
     9  C    0.056571   0.352343   4.292123  -0.019741  -0.000221  -0.000074
    10  C    0.046452   0.359380  -0.019741   4.288221   0.000004  -0.000042
    11  C   -0.002958   0.000001  -0.000221   0.000004   7.623145   0.353914
    12  C   -0.000324   0.000213  -0.000074  -0.000042   0.353914   4.914287
    13  O   -0.000032  -0.000072   0.000019   0.000005  -0.096494   0.203230
    14  O    0.000063  -0.000047   0.000002  -0.000036  -0.052543  -0.071769
    15  H   -0.537868  -0.062003   0.003295  -0.032151   0.002240   0.006154
    16  H    0.017811   0.003849  -0.000501  -0.000420  -0.325899  -0.036834
    17  H    0.020085   0.003711   0.000200  -0.000593  -0.474926  -0.071330
    18  H   -0.552189  -0.057308  -0.032539   0.004079   0.021989   0.003027
    19  H    0.048123   0.050383  -0.007494   0.014706  -0.000037   0.000022
    20  H    0.057761   0.051655   0.018122  -0.005768  -0.000080  -0.000029
    21  H   -0.202271   0.315250  -0.048626  -0.045913  -0.000003   0.000002
    22  H    0.029655   0.158806   0.196451  -0.012163   0.000001   0.000004
    23  H   -0.069944   0.077315   0.303657   0.004925  -0.000015  -0.000007
    24  H   -0.075833   0.134186   0.151699  -0.011811  -0.000102   0.000034
    25  H   -0.087683   0.130792  -0.011277   0.151295  -0.000037   0.000072
    26  H   -0.076929   0.083136   0.004715   0.294621  -0.000003  -0.000002
    27  H    0.037161   0.154967  -0.011402   0.201802   0.000012  -0.000008
    28  H    0.000005  -0.000018  -0.000038   0.000014   0.180325  -0.161274
    29  C   -0.000184  -0.000024   0.000004  -0.000003   0.378938  -0.006419
    30  H   -0.000003   0.000008  -0.000003  -0.000001   0.006546   0.146805
    31  H   -0.000001   0.000000  -0.000000   0.000000   0.149076  -0.004951
    32  H    0.000016  -0.000002   0.000001   0.000000   0.133382   0.008935
    33  H    0.000001  -0.000000   0.000000   0.000000   0.090130  -0.001735
              13         14         15         16         17         18
     1  C    0.010525  -0.000601   0.619320  -0.543651   0.169799   0.087509
     2  C    0.001509   0.000294  -1.880422  -0.031488  -0.035123  -1.868583
     3  C    0.007709   0.003098  -0.791398   0.651197   0.149727   0.140235
     4  C   -0.065501  -0.003955   0.070285  -1.551287  -1.773727   0.030702
     5  C    0.020085   0.008298   0.147524   0.097578   0.669827  -0.885828
     6  C    0.001321  -0.000568   0.100849   0.139382  -0.790453   0.832496
     7  C   -0.000032   0.000063  -0.537868   0.017811   0.020085  -0.552189
     8  C   -0.000072  -0.000047  -0.062003   0.003849   0.003711  -0.057308
     9  C    0.000019   0.000002   0.003295  -0.000501   0.000200  -0.032539
    10  C    0.000005  -0.000036  -0.032151  -0.000420  -0.000593   0.004079
    11  C   -0.096494  -0.052543   0.002240  -0.325899  -0.474926   0.021989
    12  C    0.203230  -0.071769   0.006154  -0.036834  -0.071330   0.003027
    13  O    8.423230   0.011927   0.000210   0.017809   0.007359  -0.000190
    14  O    0.011927   8.397476  -0.000568   0.002775  -0.001602  -0.000166
    15  H    0.000210  -0.000568   3.562180  -0.828267  -0.025934   0.084678
    16  H    0.017809   0.002775  -0.828267   2.818811   0.062368  -0.022582
    17  H    0.007359  -0.001602  -0.025934   0.062368   3.339077  -0.992369
    18  H   -0.000190  -0.000166   0.084678  -0.022582  -0.992369   3.577660
    19  H   -0.000003   0.000003   0.017544  -0.000565  -0.000283   0.016398
    20  H    0.000002   0.000013   0.014255  -0.000209  -0.001699   0.028536
    21  H    0.000000  -0.000001   0.013845  -0.000112  -0.000116   0.013341
    22  H   -0.000000  -0.000001   0.000231  -0.000003   0.000002  -0.001585
    23  H    0.000001  -0.000002   0.000665  -0.000006  -0.000802   0.004725
    24  H   -0.000005   0.000032   0.000409  -0.000047   0.002563   0.001107
    25  H    0.000005   0.000011   0.006719   0.001739  -0.000038   0.001638
    26  H    0.000006  -0.000004   0.006493  -0.000962  -0.000006   0.000651
    27  H    0.000002  -0.000000  -0.003375   0.000057   0.000000   0.000093
    28  H    0.007998  -0.060456  -0.000403   0.015155   0.033373  -0.001880
    29  C    0.009912   0.026191   0.002490  -0.004987  -0.041171   0.002118
    30  H   -0.067012   0.139725  -0.000005   0.000641   0.000324  -0.000013
    31  H   -0.003424   0.002092  -0.000076   0.004274  -0.004136   0.000031
    32  H    0.004535   0.000236   0.000502  -0.012278   0.013738  -0.000482
    33  H    0.013189   0.000402   0.000821  -0.008497  -0.001195   0.000118
              19         20         21         22         23         24
     1  C    0.013528   0.084460   0.048127   0.000650   0.000865  -0.002610
     2  C   -0.075623  -0.057041   0.041126   0.009688  -0.057017   0.035462
     3  C   -0.001011   0.005738  -0.002216  -0.000449   0.000513   0.001955
     4  C   -0.002033  -0.003074  -0.000047   0.000205  -0.000689   0.001376
     5  C    0.005595  -0.005106  -0.002068   0.000133  -0.005412   0.006673
     6  C    0.094247   0.013541   0.046834   0.003149   0.011122   0.001568
     7  C    0.048123   0.057761  -0.202271   0.029655  -0.069944  -0.075833
     8  C    0.050383   0.051655   0.315250   0.158806   0.077315   0.134186
     9  C   -0.007494   0.018122  -0.048626   0.196451   0.303657   0.151699
    10  C    0.014706  -0.005768  -0.045913  -0.012163   0.004925  -0.011811
    11  C   -0.000037  -0.000080  -0.000003   0.000001  -0.000015  -0.000102
    12  C    0.000022  -0.000029   0.000002   0.000004  -0.000007   0.000034
    13  O   -0.000003   0.000002   0.000000  -0.000000   0.000001  -0.000005
    14  O    0.000003   0.000013  -0.000001  -0.000001  -0.000002   0.000032
    15  H    0.017544   0.014255   0.013845   0.000231   0.000665   0.000409
    16  H   -0.000565  -0.000209  -0.000112  -0.000003  -0.000006  -0.000047
    17  H   -0.000283  -0.001699  -0.000116   0.000002  -0.000802   0.002563
    18  H    0.016398   0.028536   0.013341  -0.001585   0.004725   0.001107
    19  H    0.926928  -0.238497  -0.014984   0.000590  -0.008899   0.006420
    20  H   -0.238497   0.906622  -0.016366  -0.004597   0.036976  -0.013856
    21  H   -0.014984  -0.016366   1.193419   0.017236  -0.015445   0.009837
    22  H    0.000590  -0.004597   0.017236   0.963410  -0.154681  -0.094384
    23  H   -0.008899   0.036976  -0.015445  -0.154681   0.826668   0.030777
    24  H    0.006420  -0.013856   0.009837  -0.094384   0.030777   0.707268
    25  H   -0.011634   0.005897   0.010310  -0.017164  -0.003823   0.028760
    26  H    0.036729  -0.008605  -0.013926   0.005396  -0.003398  -0.003195
    27  H   -0.004982   0.000808   0.016113   0.006323   0.005652  -0.017916
    28  H    0.000008  -0.000003   0.000000   0.000000  -0.000001   0.000002
    29  C   -0.000005   0.000019   0.000000   0.000000   0.000000   0.000001
    30  H   -0.000000  -0.000000   0.000000  -0.000000  -0.000000  -0.000001
    31  H    0.000000  -0.000000   0.000000  -0.000000  -0.000000  -0.000000
    32  H   -0.000001  -0.000002  -0.000000  -0.000000   0.000000   0.000001
    33  H    0.000000   0.000002  -0.000000   0.000000  -0.000000  -0.000000
              25         26         27         28         29         30
     1  C    0.014667   0.017814  -0.000808   0.015658  -0.006916  -0.000415
     2  C    0.024055  -0.059491   0.011023  -0.000188   0.004916  -0.000356
     3  C    0.002390  -0.006592   0.000852   0.087558  -0.049453  -0.000287
     4  C    0.001601  -0.000447   0.000189  -0.293215  -0.002192   0.000360
     5  C    0.002435   0.000310  -0.000403  -0.083717  -0.026585   0.000852
     6  C    0.001973   0.001405  -0.000300   0.011910   0.002148  -0.000315
     7  C   -0.087683  -0.076929   0.037161   0.000005  -0.000184  -0.000003
     8  C    0.130792   0.083136   0.154967  -0.000018  -0.000024   0.000008
     9  C   -0.011277   0.004715  -0.011402  -0.000038   0.000004  -0.000003
    10  C    0.151295   0.294621   0.201802   0.000014  -0.000003  -0.000001
    11  C   -0.000037  -0.000003   0.000012   0.180325   0.378938   0.006546
    12  C    0.000072  -0.000002  -0.000008  -0.161274  -0.006419   0.146805
    13  O    0.000005   0.000006   0.000002   0.007998   0.009912  -0.067012
    14  O    0.000011  -0.000004  -0.000000  -0.060456   0.026191   0.139725
    15  H    0.006719   0.006493  -0.003375  -0.000403   0.002490  -0.000005
    16  H    0.001739  -0.000962   0.000057   0.015155  -0.004987   0.000641
    17  H   -0.000038  -0.000006   0.000000   0.033373  -0.041171   0.000324
    18  H    0.001638   0.000651   0.000093  -0.001880   0.002118  -0.000013
    19  H   -0.011634   0.036729  -0.004982   0.000008  -0.000005  -0.000000
    20  H    0.005897  -0.008605   0.000808  -0.000003   0.000019  -0.000000
    21  H    0.010310  -0.013926   0.016113   0.000000   0.000000   0.000000
    22  H   -0.017164   0.005396   0.006323   0.000000   0.000000  -0.000000
    23  H   -0.003823  -0.003398   0.005652  -0.000001   0.000000  -0.000000
    24  H    0.028760  -0.003195  -0.017916   0.000002   0.000001  -0.000001
    25  H    0.702540   0.035870  -0.097827   0.000001  -0.000001  -0.000005
    26  H    0.035870   0.818133  -0.155604   0.000000   0.000000  -0.000000
    27  H   -0.097827  -0.155604   0.976763  -0.000000  -0.000000   0.000000
    28  H    0.000001   0.000000  -0.000000   1.330783  -0.209897  -0.007253
    29  C   -0.000001   0.000000  -0.000000  -0.209897   4.301757   0.001807
    30  H   -0.000005  -0.000000   0.000000  -0.007253   0.001807   0.591090
    31  H   -0.000000  -0.000000   0.000000   0.003207   0.200003   0.000309
    32  H   -0.000000  -0.000000  -0.000000   0.027723   0.183299  -0.000251
    33  H   -0.000000  -0.000000  -0.000000  -0.004484   0.301906  -0.000099
              31         32         33
     1  C   -0.001204   0.000273   0.004334
     2  C   -0.000191   0.002608   0.000988
     3  C    0.002633  -0.007235  -0.009902
     4  C    0.002214  -0.049221  -0.015543
     5  C   -0.010599   0.030345  -0.005379
     6  C    0.000019  -0.002921   0.000409
     7  C   -0.000001   0.000016   0.000001
     8  C    0.000000  -0.000002  -0.000000
     9  C   -0.000000   0.000001   0.000000
    10  C    0.000000   0.000000   0.000000
    11  C    0.149076   0.133382   0.090130
    12  C   -0.004951   0.008935  -0.001735
    13  O   -0.003424   0.004535   0.013189
    14  O    0.002092   0.000236   0.000402
    15  H   -0.000076   0.000502   0.000821
    16  H    0.004274  -0.012278  -0.008497
    17  H   -0.004136   0.013738  -0.001195
    18  H    0.000031  -0.000482   0.000118
    19  H    0.000000  -0.000001   0.000000
    20  H   -0.000000  -0.000002   0.000002
    21  H    0.000000  -0.000000  -0.000000
    22  H   -0.000000  -0.000000   0.000000
    23  H   -0.000000   0.000000  -0.000000
    24  H   -0.000000   0.000001  -0.000000
    25  H   -0.000000  -0.000000  -0.000000
    26  H   -0.000000  -0.000000  -0.000000
    27  H    0.000000  -0.000000  -0.000000
    28  H    0.003207   0.027723  -0.004484
    29  C    0.200003   0.183299   0.301906
    30  H    0.000309  -0.000251  -0.000099
    31  H    0.602244  -0.052709   0.015668
    32  H   -0.052709   0.708306  -0.000152
    33  H    0.015668  -0.000152   0.580438
 Mulliken charges:
               1
     1  C   -0.247490
     2  C   -1.833660
     3  C   -0.216111
     4  C   -1.374884
     5  C   -0.475648
     6  C   -0.307958
     7  C    1.363948
     8  C   -1.639572
     9  C    0.853707
    10  C    0.853872
    11  C   -0.613671
    12  C    0.903929
    13  O   -0.507855
    14  O   -0.400320
    15  H    0.501764
    16  H    0.535151
    17  H    0.743348
    18  H    0.564584
    19  H    0.134826
    20  H    0.130526
    21  H   -0.363348
    22  H   -0.106902
    23  H    0.016279
    24  H    0.099630
    25  H    0.106717
    26  H    0.023885
    27  H   -0.119192
    28  H    0.109107
    29  C    0.932328
    30  H    0.187554
    31  H    0.095519
    32  H    0.011356
    33  H    0.038583
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.254274
     2  C   -1.833660
     3  C    0.319040
     4  C   -1.374884
     5  C    0.267700
     6  C    0.256626
     7  C    1.629300
     8  C   -2.002920
     9  C    0.862713
    10  C    0.865281
    11  C   -0.504564
    12  C    0.903929
    13  O   -0.507855
    14  O   -0.212766
    29  C    1.077786
 Electronic spatial extent (au):  <R**2>=           4246.1074
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              1.2289    Y=             -0.5062    Z=              1.2354  Tot=              1.8145
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -89.8179   YY=            -89.5466   ZZ=            -91.6194
   XY=              1.4255   XZ=             -6.3444   YZ=              0.8730
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.5101   YY=              0.7814   ZZ=             -1.2914
   XY=              1.4255   XZ=             -6.3444   YZ=              0.8730
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              0.9147  YYY=             34.9776  ZZZ=             -2.2043  XYY=            -19.8828
  XXY=             -6.8857  XXZ=             24.0153  XZZ=              1.3667  YZZ=             -3.3180
  YYZ=             14.9554  XYZ=            -12.1932
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -4315.9656 YYYY=           -720.2101 ZZZZ=           -604.6496 XXXY=              1.4164
 XXXZ=           -103.6324 YYYX=            -92.9033 YYYZ=             32.2371 ZZZX=            -12.3957
 ZZZY=             -9.3872 XXYY=           -799.9072 XXZZ=           -850.4873 YYZZ=           -233.0979
 XXYZ=             46.8805 YYXZ=            -30.2975 ZZXY=             -4.9684
 N-N= 9.843326362736D+02 E-N=-3.491111963383D+03  KE= 6.487228979953D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Wed Sep  8 14:24:10 2021, MaxMem=  6442450944 cpu:               5.1 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 4.71324582D-01-1.77070808D-01 4.73123682D-01
 Polarizability= 1.99037106D+02-5.54040444D-01 1.30507314D+02
                 1.66351006D+00-7.44604290D+00 1.45233610D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.8525   -0.8518       -0.5647   -0.5673
 2      0.8525    0.8518        3.9163    3.9185      -35.6801  -35.6776
 3      0.5647    0.5673       27.8441   27.8424       -3.9181   -3.9185
 4     -3.9163   -3.9185       -0.0000    0.0000        0.5662    0.5673
 5      7.8360    7.8351       -0.5662   -0.5673       -0.8495   -0.8518
 6      3.9181    3.9185        0.8495    0.8518        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        2.5555    2.5555       -1.7018   -1.7018
 2    -11.7555  -11.7555        0.0000    0.0000       -1.7018   -1.7018
 3    -11.7555  -11.7555        2.5555    2.5555        0.0000    0.0000
 4      2.5555    2.5555       11.7555   11.7555     -107.0327 -107.0327
 5      1.7018    1.7018       83.5273   83.5273      -11.7555  -11.7555
 6     23.5054   23.5054       -1.7018   -1.7018       -2.5555   -2.5555
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1948    0.0000        2.1502    3.4073        1.8801    2.2691
 2     -4.0303   -3.4073      -16.4697  -15.6741      141.5779  142.7103
 3     -1.8365   -2.2691     -111.9396 -111.3697       16.4439   15.6741
 4     15.8065   15.6741       -0.1753    0.0000       -2.3437   -2.2691
 5    -31.2711  -31.3406        1.7545    2.2691        4.1276    3.4073
 6    -15.8479  -15.6741       -3.7531   -3.4073        0.0738    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.8324    0.0000      -89.2019  -88.5727        7.1075    5.4197
 2     88.3799   88.5727       14.6203   14.4106       -5.8589   -5.5559
 3     -6.4452   -5.4197       48.6904   47.6859      -15.3626  -14.4106
 4    -14.4808  -14.4106        0.0951    0.0000       -6.3123   -5.4197
 5    -41.8151  -42.1300        6.0728    5.4197      -88.8954  -88.5727
 6     13.9904   14.4106       89.0180   88.5727       -0.1843    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -19.4793  -19.7831        1.4631    2.0262      -46.1513  -47.3535
 2    -37.6053  -38.7681      -70.8414  -70.2041      -45.8717  -47.3535
 3    -37.9689  -38.7681        1.5154    2.0262      -58.7994  -59.6642
 4     72.1534   72.2303       19.0331   18.9851       20.5813   20.4654
 5    -12.4949  -12.3107       61.4395   60.9403      -20.2195  -18.9851
 6    -81.0324  -81.4057       13.3715   12.3107      -72.7709  -72.2303
 Full mass-weighted force constant matrix:
 Low frequencies ---   -0.0004    0.0003    0.0004    1.5729    3.1172    7.0147
 Low frequencies ---   24.6721   37.4950   48.0329
 Diagonal vibrational polarizability:
       44.6508982      20.9538794       8.6318248
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     24.6624                37.4898                48.0326
 Red. masses --      3.8552                 6.7236                 4.0746
 Frc consts  --      0.0014                 0.0056                 0.0055
 IR Inten    --      0.2284                 1.1648                 0.6317
 RamAct Fr= 1--      0.4948                 1.0399                 0.8260
  Dep-P Fr= 1--      0.7500                 0.7057                 0.6922
  Dep-U Fr= 1--      0.8571                 0.8275                 0.8181
 Alpha2 Fr= 1--      0.0000                 0.0008                 0.0008
 Beta2  Fr= 1--      0.0707                 0.1434                 0.1126
 AlphaG Fr= 1--     -0.0000                 0.0043                -0.0023
 Gamma2 Fr= 1--     -0.1659                 0.1640                -0.7574
 Delta2 Fr= 1--     -0.3246                 0.4492                -0.6336
 Raman1 Fr= 1--       1.979                  4.160                  3.304
 ROA1   Fr= 1--     -26.311                 30.119                -92.983
 CID1   Fr= 1--     -13.295                  7.241                -28.142
 Raman2 Fr= 1--       0.848                  1.721                  1.351
 ROA2   Fr= 1--      -1.384                  0.343                -13.108
 CID2   Fr= 1--      -1.631                  0.199                 -9.699
 Raman3 Fr= 1--       1.696                  3.442                  2.703
 ROA3   Fr= 1--     -26.311                 30.119                -92.983
 CID3   Fr= 1--     -15.511                  8.751                -34.400
 RC180  Fr= 1--       0.714                  0.655                  0.636
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.09   0.01    -0.01  -0.08  -0.03    -0.02  -0.14  -0.07
     2   6     0.00  -0.03   0.05    -0.00  -0.04  -0.01     0.00  -0.04  -0.04
     3   6     0.02  -0.10  -0.03    -0.01  -0.10  -0.04    -0.02  -0.15  -0.06
     4   6    -0.01  -0.05  -0.03    -0.01  -0.07  -0.03     0.01  -0.04  -0.01
     5   6    -0.03   0.00   0.01    -0.01  -0.06  -0.02     0.03   0.05   0.01
     6   6    -0.02   0.01   0.05    -0.01  -0.04  -0.02     0.03   0.05   0.00
     7   6     0.01  -0.02   0.09     0.00   0.04   0.02     0.00   0.03  -0.05
     8   6    -0.03   0.03  -0.00    -0.08   0.08   0.05    -0.06   0.06  -0.01
     9   6    -0.11   0.19  -0.04    -0.12   0.05   0.06     0.06  -0.08   0.02
    10   6    -0.01  -0.06  -0.15    -0.15   0.07   0.07    -0.24   0.10   0.13
    11   6    -0.01  -0.03  -0.06    -0.00  -0.01  -0.02     0.01   0.01   0.02
    12   6     0.05   0.01   0.06     0.08   0.01  -0.01     0.08   0.03  -0.01
    13   8     0.12   0.13   0.08    -0.18  -0.02   0.09     0.25   0.06  -0.07
    14   8     0.01  -0.11   0.14     0.49   0.08  -0.11    -0.07   0.01   0.02
    15   1     0.04  -0.13   0.00    -0.00  -0.09  -0.03    -0.04  -0.21  -0.09
    16   1     0.03  -0.13  -0.06    -0.01  -0.12  -0.05    -0.04  -0.22  -0.07
    17   1    -0.05   0.04   0.01    -0.01  -0.04  -0.02     0.05   0.12   0.05
    18   1    -0.04   0.06   0.08    -0.00  -0.02  -0.01     0.04   0.12   0.02
    19   1     0.04  -0.11   0.12     0.04   0.06   0.02     0.00   0.07  -0.05
    20   1     0.01   0.04   0.18     0.04   0.05   0.02     0.05   0.03  -0.08
    21   1    -0.01   0.03   0.07    -0.06   0.15   0.06    -0.06   0.16  -0.13
    22   1    -0.14   0.23  -0.10    -0.17   0.08   0.08     0.02  -0.05   0.03
    23   1    -0.12   0.26   0.06    -0.08   0.05   0.05     0.18  -0.10  -0.08
    24   1    -0.13   0.20  -0.12    -0.14  -0.02   0.05     0.07  -0.17   0.15
    25   1    -0.02  -0.05  -0.23    -0.17   0.00   0.07    -0.24  -0.00   0.25
    26   1     0.05  -0.17  -0.12    -0.12   0.10   0.07    -0.33   0.20   0.10
    27   1    -0.03  -0.03  -0.21    -0.20   0.11   0.10    -0.28   0.13   0.14
    28   1    -0.05  -0.12  -0.09     0.00   0.00  -0.02     0.03   0.05   0.03
    29   6    -0.03   0.08  -0.17    -0.06   0.03  -0.01    -0.05   0.03   0.06
    30   1     0.06  -0.08   0.22     0.52   0.09  -0.10    -0.00   0.02  -0.00
    31   1    -0.03   0.10  -0.18    -0.06   0.10  -0.00    -0.04   0.07   0.10
    32   1    -0.06   0.06  -0.26    -0.13   0.01   0.00    -0.09   0.02   0.07
    33   1    -0.00   0.18  -0.14    -0.06   0.00  -0.01    -0.07   0.00   0.06
                      4                      5                      6
                      A                      A                      A
 Frequencies --     57.6977                90.9939               114.0473
 Red. masses --      3.8981                 2.9378                 4.5564
 Frc consts  --      0.0076                 0.0143                 0.0349
 IR Inten    --      0.4863                 0.0494                 0.1132
 RamAct Fr= 1--      3.1236                 2.0552                 3.1533
  Dep-P Fr= 1--      0.7393                 0.7270                 0.6937
  Dep-U Fr= 1--      0.8501                 0.8419                 0.8192
 Alpha2 Fr= 1--      0.0006                 0.0008                 0.0031
 Beta2  Fr= 1--      0.4426                 0.2884                 0.4305
 AlphaG Fr= 1--     -0.0011                 0.0018                -0.0044
 Gamma2 Fr= 1--      0.7902                 0.3693                 0.1036
 Delta2 Fr= 1--      0.5594                 0.1788                 0.1090
 Raman1 Fr= 1--      12.494                  8.221                 12.613
 ROA1   Fr= 1--      93.754                 41.169                 13.437
 CID1   Fr= 1--       7.504                  5.008                  1.065
 Raman2 Fr= 1--       5.311                  3.461                  5.166
 ROA2   Fr= 1--      14.489                  7.432                  1.615
 CID2   Fr= 1--       2.728                  2.148                  0.313
 Raman3 Fr= 1--      10.622                  6.921                 10.332
 ROA3   Fr= 1--      93.754                 41.169                 13.437
 CID3   Fr= 1--       8.827                  5.948                  1.300
 RC180  Fr= 1--       0.700                  0.684                  0.638
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.07  -0.02    -0.03  -0.08  -0.11    -0.10   0.10   0.05
     2   6    -0.01   0.05   0.04     0.00   0.02  -0.08    -0.07   0.13   0.04
     3   6    -0.01  -0.09  -0.05    -0.03  -0.10  -0.09    -0.11  -0.03   0.02
     4   6    -0.02   0.02  -0.02     0.01   0.00  -0.04    -0.10  -0.12   0.00
     5   6    -0.01   0.18   0.05     0.04   0.11  -0.01    -0.08  -0.07   0.00
     6   6    -0.01   0.20   0.08     0.04   0.11  -0.04    -0.06   0.06   0.02
     7   6    -0.01  -0.01   0.02     0.01   0.03  -0.07    -0.07   0.10  -0.00
     8   6     0.06  -0.04  -0.02     0.01  -0.02   0.08     0.06   0.02  -0.01
     9   6     0.23  -0.08  -0.00    -0.18  -0.04   0.07     0.14   0.02  -0.01
    10   6     0.00  -0.01   0.05     0.19   0.01   0.04     0.20   0.06  -0.01
    11   6    -0.03  -0.03  -0.07     0.02   0.00   0.02    -0.10  -0.09   0.01
    12   6    -0.07  -0.03   0.01    -0.00  -0.01   0.03     0.06  -0.05  -0.02
    13   8    -0.17   0.00   0.07    -0.01  -0.01   0.03     0.18  -0.01  -0.06
    14   8     0.03  -0.06   0.03    -0.02  -0.01   0.04     0.12  -0.06  -0.03
    15   1    -0.00  -0.17  -0.05    -0.05  -0.15  -0.14    -0.11   0.16   0.06
    16   1    -0.01  -0.20  -0.11    -0.06  -0.18  -0.10    -0.13  -0.05   0.03
    17   1    -0.02   0.28   0.08     0.07   0.19   0.02    -0.07  -0.12  -0.01
    18   1    -0.01   0.30   0.13     0.06   0.19  -0.02    -0.05   0.08   0.02
    19   1    -0.04  -0.04   0.02     0.03   0.12  -0.09    -0.13   0.11  -0.01
    20   1    -0.04  -0.02   0.03    -0.02  -0.03  -0.14    -0.11   0.06  -0.04
    21   1     0.03  -0.06  -0.14     0.03  -0.07   0.22     0.03  -0.11  -0.03
    22   1     0.28  -0.10  -0.05    -0.12  -0.11   0.17     0.24  -0.05  -0.02
    23   1     0.28  -0.10  -0.06    -0.36  -0.07   0.10     0.06  -0.01  -0.02
    24   1     0.27  -0.06   0.12    -0.19   0.07  -0.08     0.17   0.13   0.02
    25   1     0.03   0.00   0.16     0.15   0.01  -0.15     0.22   0.17  -0.02
    26   1    -0.12   0.01   0.03     0.38   0.03   0.05     0.18   0.05  -0.01
    27   1     0.04  -0.03   0.00     0.15  -0.01   0.18     0.28  -0.01  -0.01
    28   1    -0.06  -0.10  -0.09     0.07   0.02   0.04    -0.11  -0.06   0.01
    29   6     0.02   0.01  -0.15    -0.03  -0.02   0.08    -0.18  -0.04   0.03
    30   1    -0.00  -0.06   0.08    -0.03  -0.01   0.04     0.27  -0.02  -0.06
    31   1     0.01  -0.04  -0.17    -0.02  -0.02   0.15    -0.18   0.06   0.03
    32   1     0.04   0.00  -0.21    -0.01  -0.01   0.08    -0.28  -0.07   0.05
    33   1     0.03   0.08  -0.13    -0.10  -0.03   0.07    -0.17  -0.08   0.02
                      7                      8                      9
                      A                      A                      A
 Frequencies --    156.4530               200.6287               223.8801
 Red. masses --      3.7913                 2.9721                 1.0878
 Frc consts  --      0.0547                 0.0705                 0.0321
 IR Inten    --      0.0817                 0.5088                 0.2947
 RamAct Fr= 1--      0.8072                 0.3096                 0.0463
  Dep-P Fr= 1--      0.1406                 0.0513                 0.6098
  Dep-U Fr= 1--      0.2465                 0.0977                 0.7576
 Alpha2 Fr= 1--      0.0128                 0.0061                 0.0001
 Beta2  Fr= 1--      0.0332                 0.0050                 0.0058
 AlphaG Fr= 1--      0.0013                -0.0076                -0.0005
 Gamma2 Fr= 1--     -0.0456                 0.2538                 0.1128
 Delta2 Fr= 1--     -0.1175                 0.1660                 0.0376
 Raman1 Fr= 1--       3.229                  1.238                  0.185
 ROA1   Fr= 1--      -8.133                 29.679                 12.033
 CID1   Fr= 1--      -2.519                 23.965                 64.966
 Raman2 Fr= 1--       0.398                  0.060                  0.070
 ROA2   Fr= 1--      -0.154                  4.764                  2.407
 CID2   Fr= 1--      -0.386                 78.764                 34.297
 Raman3 Fr= 1--       0.796                  0.121                  0.140
 ROA3   Fr= 1--      -8.133                 29.679                 12.033
 CID3   Fr= 1--     -10.218                245.341                 85.748
 RC180  Fr= 1--      -0.507                 -0.805                  0.515
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07   0.06   0.05    -0.03  -0.11   0.04     0.01   0.02  -0.01
     2   6    -0.05   0.03   0.00     0.01  -0.05   0.02     0.00   0.01  -0.01
     3   6    -0.05   0.08   0.11    -0.02  -0.13   0.08     0.01   0.02  -0.01
     4   6     0.00   0.05   0.12     0.00  -0.07   0.10     0.00   0.01  -0.02
     5   6     0.03   0.11   0.12     0.03  -0.10   0.07     0.00   0.02  -0.01
     6   6     0.02   0.09   0.06     0.04  -0.09   0.03     0.00   0.02  -0.01
     7   6    -0.08  -0.02  -0.10     0.01   0.06  -0.08     0.00  -0.01   0.01
     8   6    -0.08  -0.04  -0.04     0.02   0.05  -0.04    -0.00  -0.01   0.01
     9   6    -0.15  -0.10  -0.04     0.02  -0.00  -0.03    -0.01  -0.01   0.00
    10   6    -0.05  -0.01  -0.01     0.09   0.11   0.00    -0.02  -0.02  -0.00
    11   6    -0.01  -0.05   0.02    -0.01   0.02   0.03     0.00   0.00  -0.01
    12   6     0.04  -0.04  -0.01    -0.02   0.03   0.01     0.00  -0.00  -0.00
    13   8     0.12  -0.03  -0.03    -0.06  -0.03  -0.00    -0.00   0.02   0.01
    14   8     0.10  -0.03  -0.02    -0.07   0.09  -0.03     0.00  -0.03   0.02
    15   1    -0.11   0.05   0.03    -0.07  -0.12   0.02     0.01   0.03  -0.00
    16   1    -0.09   0.07   0.14    -0.04  -0.15   0.08     0.01   0.02  -0.01
    17   1     0.06   0.13   0.14     0.07  -0.11   0.08     0.00   0.02  -0.01
    18   1     0.05   0.10   0.03     0.06  -0.08   0.01     0.00   0.03  -0.00
    19   1    -0.15   0.06  -0.13    -0.06   0.14  -0.11     0.01  -0.02   0.01
    20   1    -0.06  -0.06  -0.18     0.10   0.04  -0.17    -0.01  -0.01   0.02
    21   1    -0.07  -0.03  -0.01     0.02   0.03  -0.03     0.00  -0.00   0.01
    22   1    -0.10  -0.16   0.04     0.10  -0.08   0.03    -0.04   0.02  -0.00
    23   1    -0.25  -0.15  -0.05    -0.09  -0.06  -0.06     0.02   0.01   0.01
    24   1    -0.15  -0.04  -0.09     0.04   0.09  -0.05    -0.02  -0.03   0.00
    25   1    -0.06  -0.04  -0.06     0.06   0.07  -0.10    -0.01  -0.02   0.02
    26   1     0.02   0.03  -0.02     0.23   0.19  -0.00    -0.04  -0.03  -0.00
    27   1    -0.08  -0.01   0.06     0.05   0.10   0.15    -0.01  -0.02  -0.03
    28   1    -0.12  -0.09  -0.01    -0.12  -0.01   0.00     0.01   0.01  -0.01
    29   6     0.18  -0.05  -0.14     0.01   0.14  -0.12    -0.00  -0.02   0.02
    30   1     0.19  -0.01  -0.05    -0.15   0.06  -0.07     0.00  -0.02   0.04
    31   1     0.15  -0.15  -0.30    -0.02   0.35  -0.38    -0.05   0.38  -0.35
    32   1     0.24  -0.03  -0.15    -0.22   0.08  -0.02    -0.38  -0.08   0.46
    33   1     0.32   0.02  -0.10     0.31   0.08  -0.09     0.42  -0.41  -0.01
                     10                     11                     12
                      A                      A                      A
 Frequencies --    247.8006               257.0280               269.1202
 Red. masses --      1.0980                 2.7068                 1.1202
 Frc consts  --      0.0397                 0.1054                 0.0478
 IR Inten    --      0.0684                 0.8410                 0.8045
 RamAct Fr= 1--      0.7771                 1.0960                 0.3998
  Dep-P Fr= 1--      0.3212                 0.7466                 0.0381
  Dep-U Fr= 1--      0.4862                 0.8549                 0.0734
 Alpha2 Fr= 1--      0.0075                 0.0001                 0.0081
 Beta2  Fr= 1--      0.0630                 0.1562                 0.0049
 AlphaG Fr= 1--      0.0237                -0.0001                 0.0093
 Gamma2 Fr= 1--     -0.0116                 0.5620                 0.0128
 Delta2 Fr= 1--     -0.0256                 0.3364                -0.0450
 Raman1 Fr= 1--       3.108                  4.384                  1.599
 ROA1   Fr= 1--      -1.934                 64.714                 -0.208
 CID1   Fr= 1--      -0.622                 14.761                 -0.130
 Raman2 Fr= 1--       0.756                  1.874                  0.059
 ROA2   Fr= 1--      -0.075                 10.795                  0.667
 CID2   Fr= 1--      -0.099                  5.760                 11.366
 Raman3 Fr= 1--       1.511                  3.748                  0.117
 ROA3   Fr= 1--      -1.934                 64.714                 -0.208
 CID3   Fr= 1--      -1.280                 17.266                 -1.774
 RC180  Fr= 1--      -0.028                  0.710                 -0.853
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01   0.02    -0.06  -0.09  -0.05    -0.01  -0.01   0.00
     2   6     0.01  -0.00   0.02    -0.06  -0.05  -0.02    -0.01  -0.00   0.01
     3   6     0.02   0.02  -0.00    -0.05  -0.04  -0.03    -0.01  -0.01   0.00
     4   6     0.00   0.00  -0.02    -0.03   0.04   0.00    -0.02   0.01   0.01
     5   6    -0.01   0.00  -0.01    -0.05  -0.04  -0.02    -0.02  -0.00   0.00
     6   6    -0.00   0.00   0.02    -0.06  -0.09  -0.03    -0.02  -0.01   0.00
     7   6     0.01  -0.01   0.01    -0.05   0.02   0.02    -0.00   0.01  -0.00
     8   6     0.00   0.00  -0.01    -0.02   0.02   0.02     0.01   0.01  -0.00
     9   6     0.03  -0.00  -0.01     0.06   0.07   0.01     0.02  -0.01   0.00
    10   6    -0.04  -0.01  -0.01     0.05   0.05   0.03     0.03   0.01  -0.02
    11   6     0.00   0.00  -0.02    -0.01   0.05  -0.01    -0.02   0.01  -0.01
    12   6    -0.00   0.00  -0.01    -0.02   0.05  -0.02    -0.01   0.01  -0.01
    13   8    -0.00   0.02  -0.00     0.00   0.13   0.01    -0.00   0.04  -0.00
    14   8     0.00  -0.02   0.00     0.02   0.00   0.02     0.01  -0.01   0.00
    15   1     0.04   0.01   0.02    -0.06  -0.13  -0.06    -0.01  -0.02   0.00
    16   1     0.03   0.03  -0.01    -0.06  -0.05  -0.03    -0.01  -0.01  -0.00
    17   1    -0.02  -0.00  -0.02    -0.07  -0.04  -0.02    -0.02  -0.00   0.00
    18   1    -0.02   0.00   0.03    -0.06  -0.11  -0.05    -0.02  -0.02   0.00
    19   1    -0.01  -0.02   0.01    -0.02   0.02   0.03    -0.01   0.01  -0.00
    20   1     0.02   0.00   0.01    -0.04   0.03   0.03     0.00   0.01  -0.01
    21   1    -0.00   0.02  -0.03    -0.04  -0.04  -0.01     0.01   0.01  -0.00
    22   1     0.33  -0.25   0.05     0.27  -0.07  -0.02    -0.29   0.24  -0.07
    23   1    -0.33  -0.13  -0.02    -0.13   0.02   0.03     0.42   0.11  -0.03
    24   1     0.11   0.37  -0.06     0.13   0.32   0.02    -0.05  -0.42   0.10
    25   1    -0.17  -0.29  -0.28     0.11   0.20   0.13    -0.08  -0.20  -0.32
    26   1     0.33   0.13   0.00    -0.08   0.02   0.02     0.41   0.11  -0.00
    27   1    -0.33   0.13   0.28     0.20  -0.03  -0.05    -0.21   0.11   0.25
    28   1     0.01   0.01  -0.01    -0.02   0.09   0.00    -0.02   0.02  -0.00
    29   6    -0.02  -0.01   0.02     0.19  -0.14   0.03     0.03  -0.04   0.01
    30   1     0.01  -0.01   0.02     0.07   0.03   0.06     0.03   0.00   0.02
    31   1    -0.01  -0.01   0.04     0.16  -0.32  -0.08     0.02  -0.09  -0.00
    32   1    -0.02  -0.01   0.04     0.36  -0.06   0.19     0.08  -0.02   0.04
    33   1    -0.04  -0.04   0.01     0.26  -0.26   0.01     0.03  -0.07   0.00
                     13                     14                     15
                      A                      A                      A
 Frequencies --    281.9356               342.7546               352.7862
 Red. masses --      3.3470                 3.7261                 3.4106
 Frc consts  --      0.1567                 0.2579                 0.2501
 IR Inten    --      0.4993                 0.8138                 0.7419
 RamAct Fr= 1--      1.0187                 0.6336                 2.8725
  Dep-P Fr= 1--      0.3455                 0.6176                 0.4463
  Dep-U Fr= 1--      0.5135                 0.7636                 0.6172
 Alpha2 Fr= 1--      0.0091                 0.0015                 0.0179
 Beta2  Fr= 1--      0.0872                 0.0806                 0.2955
 AlphaG Fr= 1--      0.0039                 0.0054                -0.0047
 Gamma2 Fr= 1--     -0.3183                -0.4249                 0.6094
 Delta2 Fr= 1--     -0.0645                -0.7370                 0.2263
 Raman1 Fr= 1--       4.075                  2.534                 11.490
 ROA1   Fr= 1--     -32.616                -64.372                 65.741
 CID1   Fr= 1--      -8.004                -25.400                  5.722
 Raman2 Fr= 1--       1.046                  0.968                  3.546
 ROA2   Fr= 1--      -7.123                 -4.302                 12.814
 CID2   Fr= 1--      -6.807                 -4.446                  3.614
 Raman3 Fr= 1--       2.093                  1.935                  7.091
 ROA3   Fr= 1--     -32.616                -64.372                 65.741
 CID3   Fr= 1--     -15.586                -33.264                  9.271
 RC180  Fr= 1--       0.027                  0.527                  0.234
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09  -0.02   0.11    -0.04   0.07   0.01     0.02   0.06   0.02
     2   6     0.05  -0.04   0.13     0.05   0.11  -0.05    -0.01   0.17   0.09
     3   6     0.09  -0.01   0.02    -0.04  -0.09   0.09    -0.00  -0.11  -0.10
     4   6     0.01  -0.01  -0.02     0.00  -0.12   0.10     0.00  -0.09  -0.09
     5   6    -0.03   0.01   0.04     0.10  -0.09   0.05    -0.05  -0.11  -0.07
     6   6    -0.00  -0.01   0.12     0.11   0.05  -0.03    -0.03   0.06   0.04
     7   6     0.03   0.01  -0.05     0.06   0.06  -0.07    -0.03   0.08   0.08
     8   6     0.00   0.03  -0.11     0.06  -0.01   0.08    -0.00   0.06  -0.02
     9   6    -0.11  -0.12  -0.10     0.01   0.01   0.09    -0.04  -0.16   0.03
    10   6     0.04   0.13  -0.02    -0.08  -0.16  -0.04    -0.03  -0.02  -0.13
    11   6    -0.01   0.02  -0.09    -0.03   0.01  -0.04     0.05   0.01   0.02
    12   6    -0.02   0.03  -0.08    -0.02   0.06  -0.10     0.04   0.03   0.06
    13   8    -0.05   0.14  -0.02    -0.07   0.19  -0.03     0.01  -0.03   0.05
    14   8     0.00  -0.09  -0.00    -0.02  -0.04  -0.03    -0.03   0.12   0.02
    15   1     0.16  -0.03   0.14    -0.14   0.13  -0.01     0.07   0.06   0.04
    16   1     0.14  -0.01  -0.02    -0.10  -0.13   0.12    -0.00  -0.19  -0.14
    17   1    -0.08   0.04   0.02     0.20  -0.14   0.08    -0.11  -0.17  -0.12
    18   1    -0.06  -0.00   0.17     0.18   0.07  -0.08    -0.05   0.06   0.05
    19   1    -0.13   0.02  -0.08     0.04   0.25  -0.11    -0.07  -0.04   0.10
    20   1     0.16   0.03  -0.11    -0.00  -0.07  -0.23    -0.07   0.12   0.16
    21   1     0.01   0.06  -0.10     0.08   0.03   0.11    -0.00   0.06  -0.02
    22   1    -0.16  -0.13   0.08     0.03  -0.01   0.09    -0.03  -0.24   0.26
    23   1    -0.15  -0.19  -0.18    -0.03   0.01   0.11    -0.08  -0.32  -0.17
    24   1    -0.14  -0.19  -0.16     0.01   0.04   0.05    -0.05  -0.22   0.05
    25   1     0.12   0.29   0.15    -0.09  -0.24   0.00    -0.04  -0.02  -0.18
    26   1    -0.14   0.17  -0.04    -0.17  -0.36  -0.01    -0.02  -0.18  -0.09
    27   1     0.22   0.01  -0.06    -0.15  -0.04  -0.27    -0.05   0.03  -0.26
    28   1    -0.00   0.10  -0.07    -0.14   0.11  -0.04     0.10  -0.02   0.03
    29   6    -0.07  -0.07   0.06    -0.02  -0.06   0.00     0.12  -0.01   0.00
    30   1     0.01  -0.06   0.11    -0.05  -0.02   0.06    -0.12   0.07  -0.07
    31   1    -0.04  -0.10   0.20    -0.01  -0.14   0.08     0.10  -0.08  -0.07
    32   1    -0.01  -0.05   0.10     0.06  -0.03  -0.00     0.18   0.02   0.03
    33   1    -0.22  -0.16   0.02    -0.11  -0.07  -0.01     0.18  -0.01   0.01
                     16                     17                     18
                      A                      A                      A
 Frequencies --    389.8100               406.7442               420.3844
 Red. masses --      2.5216                 1.9381                 3.3094
 Frc consts  --      0.2258                 0.1889                 0.3446
 IR Inten    --      1.4281                 0.0486                 1.1967
 RamAct Fr= 1--      1.6562                 1.1386                 1.9148
  Dep-P Fr= 1--      0.3305                 0.1429                 0.1210
  Dep-U Fr= 1--      0.4968                 0.2501                 0.2159
 Alpha2 Fr= 1--      0.0155                 0.0179                 0.0318
 Beta2  Fr= 1--      0.1371                 0.0475                 0.0689
 AlphaG Fr= 1--     -0.0074                -0.0147                 0.0694
 Gamma2 Fr= 1--     -0.1620                -0.1728                 1.7867
 Delta2 Fr= 1--     -0.2723                -0.0332                 0.4141
 Raman1 Fr= 1--       6.625                  4.555                  7.659
 ROA1   Fr= 1--     -24.267                -17.648                184.776
 CID1   Fr= 1--      -3.663                 -3.875                 24.124
 Raman2 Fr= 1--       1.646                  0.569                  0.827
 ROA2   Fr= 1--      -1.709                 -3.880                 39.568
 CID2   Fr= 1--      -1.039                 -6.813                 47.856
 Raman3 Fr= 1--       3.291                  1.139                  1.654
 ROA3   Fr= 1--     -24.267                -17.648                184.776
 CID3   Fr= 1--      -7.373                -15.494                111.741
 RC180  Fr= 1--      -0.006                 -0.500                 -0.568
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.08   0.02    -0.02   0.05  -0.03     0.00   0.18   0.04
     2   6     0.00   0.08   0.03     0.03   0.01  -0.08    -0.07   0.02   0.02
     3   6    -0.01  -0.07  -0.03    -0.03  -0.05   0.04    -0.02  -0.16  -0.08
     4   6    -0.00  -0.10  -0.04    -0.02  -0.01   0.06     0.07  -0.02  -0.00
     5   6    -0.00  -0.06  -0.02     0.05   0.04   0.03     0.04   0.13   0.09
     6   6     0.01   0.06   0.02     0.02  -0.02  -0.09    -0.02  -0.17  -0.03
     7   6    -0.02  -0.08  -0.01     0.07  -0.06   0.14    -0.11   0.00   0.01
     8   6     0.06  -0.13  -0.06     0.03   0.03  -0.05    -0.09  -0.02   0.01
     9   6    -0.05   0.09  -0.13    -0.03  -0.06  -0.04     0.02   0.02   0.01
    10   6    -0.01  -0.01   0.16     0.01   0.07  -0.00     0.01   0.00  -0.01
    11   6     0.02  -0.00  -0.00    -0.05  -0.02   0.02     0.12   0.04  -0.02
    12   6     0.02   0.03   0.02    -0.03   0.00  -0.01     0.07  -0.00  -0.07
    13   8    -0.01   0.02   0.03    -0.00   0.04  -0.01    -0.04  -0.01  -0.03
    14   8    -0.02   0.07   0.00    -0.00   0.00  -0.01     0.01  -0.10  -0.00
    15   1     0.02   0.12   0.04    -0.10   0.12  -0.05     0.06   0.35   0.12
    16   1    -0.02  -0.11  -0.04    -0.07  -0.09   0.05    -0.09  -0.36  -0.11
    17   1    -0.01  -0.08  -0.03     0.13   0.07   0.08     0.02   0.32   0.14
    18   1     0.02   0.08   0.02     0.05  -0.06  -0.14     0.00  -0.34  -0.13
    19   1    -0.07  -0.14  -0.01     0.28  -0.47   0.26    -0.11   0.02   0.00
    20   1    -0.09  -0.10   0.01    -0.06   0.16   0.54    -0.12  -0.01  -0.01
    21   1     0.06  -0.13  -0.06     0.04   0.06  -0.05    -0.11  -0.07  -0.01
    22   1    -0.15   0.20  -0.28    -0.03  -0.10   0.10     0.06   0.02  -0.09
    23   1    -0.07   0.26   0.12    -0.10  -0.13  -0.11     0.08   0.03   0.01
    24   1    -0.10   0.10  -0.33    -0.04  -0.07  -0.09     0.05   0.03   0.12
    25   1    -0.01  -0.13   0.32     0.01   0.06   0.02     0.01   0.07  -0.09
    26   1    -0.06   0.30   0.10     0.01   0.14  -0.02     0.09   0.01   0.00
    27   1    -0.06  -0.03   0.38     0.02   0.05   0.05     0.04  -0.04   0.05
    28   1     0.02  -0.01  -0.00    -0.10  -0.01   0.01     0.10   0.11  -0.01
    29   6     0.04  -0.02  -0.00    -0.02  -0.02  -0.02     0.04   0.09   0.04
    30   1    -0.09   0.04  -0.04     0.06   0.02  -0.02    -0.16  -0.11   0.15
    31   1     0.03  -0.07  -0.03    -0.03  -0.05  -0.04     0.06   0.16   0.13
    32   1     0.09  -0.01   0.01    -0.01  -0.02  -0.03    -0.01   0.07   0.01
    33   1     0.05  -0.03  -0.00    -0.01  -0.00  -0.01    -0.03   0.09   0.03
                     19                     20                     21
                      A                      A                      A
 Frequencies --    426.6512               475.1605               561.8093
 Red. masses --      3.2221                 3.3424                 2.9733
 Frc consts  --      0.3456                 0.4446                 0.5529
 IR Inten    --      1.9970                 3.4841                32.4741
 RamAct Fr= 1--      2.3378                 0.8793                 0.1059
  Dep-P Fr= 1--      0.1164                 0.1538                 0.7462
  Dep-U Fr= 1--      0.2086                 0.2666                 0.8546
 Alpha2 Fr= 1--      0.0393                 0.0135                 0.0000
 Beta2  Fr= 1--      0.0813                 0.0391                 0.0151
 AlphaG Fr= 1--     -0.0701                 0.0014                -0.0004
 Gamma2 Fr= 1--     -0.9933                -0.1437                 0.0085
 Delta2 Fr= 1--     -0.0072                -0.1364                -0.0695
 Raman1 Fr= 1--       9.351                  3.517                  0.424
 ROA1   Fr= 1--     -95.584                -18.158                 -1.406
 CID1   Fr= 1--     -10.221                 -5.163                 -3.319
 Raman2 Fr= 1--       0.975                  0.469                  0.181
 ROA2   Fr= 1--     -23.782                 -2.358                  0.760
 CID2   Fr= 1--     -24.386                 -5.028                  4.199
 Raman3 Fr= 1--       1.950                  0.938                  0.362
 ROA3   Fr= 1--     -95.584                -18.158                 -1.406
 CID3   Fr= 1--     -49.007                -19.364                 -3.884
 RC180  Fr= 1--      -0.583                 -0.467                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.08   0.10    -0.04  -0.06   0.00     0.01  -0.06  -0.07
     2   6     0.07  -0.05   0.03     0.02   0.11   0.05    -0.04   0.16   0.05
     3   6     0.00  -0.09  -0.05    -0.05  -0.03  -0.01     0.04   0.02  -0.00
     4   6    -0.08   0.04  -0.03    -0.04   0.15   0.04     0.11   0.18   0.08
     5   6    -0.03   0.17  -0.01    -0.07  -0.01  -0.03     0.06   0.00   0.06
     6   6    -0.04  -0.14  -0.04    -0.06  -0.05  -0.03     0.03  -0.10  -0.00
     7   6     0.11   0.02  -0.08     0.07   0.08   0.01    -0.10   0.07   0.04
     8   6     0.09   0.02   0.02     0.21   0.01  -0.02     0.01  -0.02  -0.01
     9   6     0.00   0.02   0.01    -0.03  -0.02  -0.05    -0.01  -0.01  -0.03
    10   6    -0.02  -0.04  -0.01    -0.02  -0.05   0.03    -0.00  -0.03   0.02
    11   6    -0.12  -0.05   0.02    -0.02   0.09   0.07     0.05  -0.06  -0.10
    12   6    -0.08  -0.00   0.09    -0.03  -0.01  -0.05     0.01  -0.03   0.04
    13   8     0.06  -0.01   0.04    -0.01  -0.06  -0.08     0.02   0.02   0.06
    14   8    -0.01   0.12   0.01     0.04  -0.15   0.02    -0.02   0.07  -0.02
    15   1     0.07   0.22   0.14    -0.07  -0.20  -0.05     0.01  -0.37  -0.16
    16   1     0.07  -0.20  -0.15    -0.04  -0.16  -0.08    -0.05  -0.24  -0.06
    17   1    -0.01   0.32   0.05    -0.09  -0.14  -0.08     0.00  -0.25  -0.04
    18   1    -0.14  -0.28  -0.03    -0.13  -0.20  -0.05     0.06  -0.38  -0.17
    19   1     0.02   0.22  -0.14    -0.01   0.07   0.00    -0.14   0.03   0.04
    20   1     0.19  -0.07  -0.27     0.02   0.03  -0.02    -0.17   0.05   0.05
    21   1     0.11   0.07   0.03     0.21   0.02  -0.02    -0.01  -0.09  -0.03
    22   1    -0.01   0.01   0.07    -0.15   0.02   0.13    -0.03   0.01  -0.02
    23   1    -0.05   0.01   0.04    -0.16  -0.01   0.01    -0.02   0.01  -0.00
    24   1    -0.02   0.02  -0.07    -0.11  -0.07  -0.32    -0.02  -0.02  -0.08
    25   1    -0.03  -0.11   0.06    -0.05  -0.28   0.21    -0.01  -0.07   0.05
    26   1    -0.09  -0.09  -0.00    -0.17  -0.02   0.01    -0.02  -0.00   0.01
    27   1    -0.08   0.03  -0.11    -0.17   0.08  -0.06    -0.03  -0.01   0.03
    28   1    -0.08  -0.15   0.01    -0.02   0.14   0.08     0.02  -0.16  -0.12
    29   6    -0.04  -0.10  -0.05     0.06   0.12   0.06    -0.10  -0.09  -0.07
    30   1     0.20   0.13  -0.18     0.20  -0.07   0.21    -0.05   0.02  -0.19
    31   1    -0.06  -0.17  -0.15     0.05   0.11  -0.00    -0.06   0.04   0.11
    32   1     0.02  -0.07  -0.01     0.06   0.11   0.02    -0.20  -0.12  -0.01
    33   1     0.04  -0.11  -0.04     0.11   0.18   0.08    -0.25  -0.21  -0.11
                     22                     23                     24
                      A                      A                      A
 Frequencies --    574.6024               626.7040               643.7009
 Red. masses --      1.9074                 2.0760                 2.7198
 Frc consts  --      0.3710                 0.4804                 0.6640
 IR Inten    --     34.4608                36.9723                33.0647
 RamAct Fr= 1--      0.8203                 1.4491                 2.6260
  Dep-P Fr= 1--      0.5838                 0.4193                 0.7119
  Dep-U Fr= 1--      0.7372                 0.5909                 0.8317
 Alpha2 Fr= 1--      0.0026                 0.0100                 0.0017
 Beta2  Fr= 1--      0.1008                 0.1427                 0.3640
 AlphaG Fr= 1--      0.0105                 0.0134                -0.0059
 Gamma2 Fr= 1--     -0.2509                -0.7989                -0.3047
 Delta2 Fr= 1--     -0.0007                 0.1800                -0.2443
 Raman1 Fr= 1--       3.281                  5.796                 10.504
 ROA1   Fr= 1--     -24.109                -70.931                -37.066
 CID1   Fr= 1--      -7.348                -12.237                 -3.529
 Raman2 Fr= 1--       1.209                  1.713                  4.368
 ROA2   Fr= 1--      -6.016                -20.612                 -5.358
 CID2   Fr= 1--      -4.974                -12.036                 -1.227
 Raman3 Fr= 1--       2.419                  3.425                  8.736
 ROA3   Fr= 1--     -24.109                -70.931                -37.066
 CID3   Fr= 1--      -9.967                -20.710                 -4.243
 RC180  Fr= 1--       0.474                  0.182                  0.663
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.02   0.01    -0.04  -0.02  -0.02     0.06   0.02  -0.09
     2   6     0.05   0.07   0.03    -0.07  -0.06  -0.00    -0.04  -0.02  -0.06
     3   6     0.04  -0.05  -0.02    -0.03   0.05  -0.04     0.09  -0.03   0.06
     4   6     0.01   0.05   0.01     0.05  -0.07  -0.05     0.03  -0.07   0.03
     5   6     0.04  -0.04  -0.05     0.03   0.02   0.02    -0.07  -0.03   0.12
     6   6     0.06   0.03   0.00     0.01  -0.05   0.04    -0.09   0.02  -0.03
     7   6    -0.02  -0.05  -0.01    -0.04   0.07   0.04    -0.02   0.03  -0.00
     8   6    -0.12  -0.03   0.00     0.08   0.02  -0.00     0.04   0.01   0.00
     9   6    -0.00   0.01   0.01     0.00  -0.01  -0.02     0.00  -0.00  -0.01
    10   6    -0.00   0.01  -0.00     0.01  -0.02   0.01     0.00  -0.01   0.00
    11   6    -0.06   0.01   0.06     0.08  -0.06   0.03     0.02   0.09  -0.13
    12   6    -0.13  -0.01   0.01    -0.03  -0.06  -0.00     0.03   0.08   0.01
    13   8     0.00   0.02  -0.03    -0.01   0.09   0.05    -0.02  -0.11  -0.05
    14   8    -0.03  -0.04   0.01    -0.07  -0.02  -0.07    -0.04   0.03   0.13
    15   1     0.06  -0.07  -0.02     0.04   0.10   0.05     0.03   0.13  -0.07
    16   1     0.06  -0.18  -0.10    -0.04   0.22   0.04     0.03   0.05   0.15
    17   1     0.05  -0.19  -0.09    -0.02   0.21   0.06    -0.03   0.07   0.17
    18   1     0.04  -0.06  -0.03     0.05   0.10   0.08     0.00   0.13  -0.05
    19   1    -0.04  -0.04  -0.02    -0.04   0.05   0.04    -0.01   0.06  -0.00
    20   1    -0.03  -0.05  -0.01    -0.04   0.07   0.03    -0.02   0.01  -0.03
    21   1    -0.11  -0.01   0.01     0.06  -0.06  -0.03     0.02  -0.02  -0.01
    22   1     0.07  -0.01  -0.14    -0.07   0.01   0.11    -0.03   0.01   0.04
    23   1     0.08   0.03   0.00    -0.06  -0.02  -0.01    -0.03  -0.01  -0.00
    24   1     0.05   0.06   0.16    -0.04  -0.06  -0.15    -0.02  -0.02  -0.06
    25   1     0.02   0.16  -0.09    -0.02  -0.14   0.08    -0.01  -0.06   0.03
    26   1     0.08   0.03   0.00    -0.06  -0.03   0.00    -0.02  -0.02   0.00
    27   1     0.10  -0.09   0.08    -0.08   0.07  -0.05    -0.04   0.03  -0.03
    28   1    -0.02   0.01   0.07     0.13  -0.05   0.05    -0.03   0.05  -0.15
    29   6     0.01   0.03   0.02     0.03   0.03   0.03    -0.02  -0.02  -0.03
    30   1     0.77   0.14  -0.14     0.63   0.08  -0.42     0.72   0.22   0.09
    31   1    -0.01   0.01  -0.07     0.04   0.14   0.03     0.01  -0.07   0.11
    32   1     0.00   0.02  -0.04    -0.08  -0.03  -0.09     0.07   0.04   0.15
    33   1     0.09   0.11   0.05     0.05   0.13   0.05    -0.15  -0.23  -0.10
                     25                     26                     27
                      A                      A                      A
 Frequencies --    665.9918               708.2046               759.2806
 Red. masses --      5.0120                 2.9520                 4.0275
 Frc consts  --      1.3098                 0.8724                 1.3680
 IR Inten    --      8.6141                35.4656                12.7880
 RamAct Fr= 1--      4.7280                 0.1607                 7.6799
  Dep-P Fr= 1--      0.5469                 0.6804                 0.0066
  Dep-U Fr= 1--      0.7071                 0.8098                 0.0132
 Alpha2 Fr= 1--      0.0184                 0.0002                 0.1680
 Beta2  Fr= 1--      0.5572                 0.0217                 0.0169
 AlphaG Fr= 1--     -0.0519                -0.0035                 0.0105
 Gamma2 Fr= 1--      0.0289                 0.4298                 0.2831
 Delta2 Fr= 1--     -0.0335                -0.0213                -0.0287
 Raman1 Fr= 1--      18.912                  0.643                 30.720
 ROA1   Fr= 1--       1.706                 40.582                 26.257
 CID1   Fr= 1--       0.090                 63.147                  0.855
 Raman2 Fr= 1--       6.686                  0.260                  0.203
 ROA2   Fr= 1--       0.962                 10.486                  7.023
 CID2   Fr= 1--       0.144                 40.299                 34.622
 Raman3 Fr= 1--      13.373                  0.520                  0.406
 ROA3   Fr= 1--       1.706                 40.582                 26.257
 CID3   Fr= 1--       0.128                 77.979                 64.718
 RC180  Fr= 1--       0.414                  0.620                 -0.974
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.19  -0.04   0.16     0.09  -0.05  -0.08    -0.01  -0.14   0.05
     2   6    -0.01  -0.04   0.07    -0.03   0.01   0.01     0.10   0.19   0.07
     3   6    -0.21   0.07  -0.10     0.11   0.02  -0.02     0.02   0.09   0.12
     4   6     0.01   0.01  -0.08     0.01  -0.09  -0.03    -0.11  -0.18  -0.06
     5   6     0.20   0.02  -0.14     0.08   0.02   0.01     0.00   0.15  -0.05
     6   6     0.23  -0.08   0.12     0.06  -0.07  -0.01    -0.03  -0.07  -0.13
     7   6    -0.02   0.01   0.03    -0.13   0.15   0.07     0.04   0.06   0.02
     8   6     0.01   0.00  -0.00    -0.01  -0.01  -0.00    -0.10  -0.03   0.00
     9   6    -0.00  -0.00  -0.00    -0.00  -0.02  -0.07    -0.02  -0.02  -0.06
    10   6     0.01  -0.01   0.01     0.01  -0.06   0.03    -0.01  -0.05   0.03
    11   6    -0.00   0.08  -0.11    -0.12   0.00   0.10    -0.01  -0.00   0.01
    12   6     0.03   0.12  -0.01    -0.14   0.04   0.01     0.21   0.02  -0.05
    13   8    -0.03  -0.11  -0.09     0.02   0.00  -0.09    -0.05  -0.01   0.05
    14   8     0.00   0.04   0.14     0.07   0.01   0.03    -0.07  -0.02  -0.00
    15   1    -0.10  -0.02   0.20     0.19   0.09   0.01    -0.12  -0.35  -0.06
    16   1    -0.16   0.12  -0.11     0.16   0.28   0.06     0.13   0.22   0.09
    17   1     0.13   0.11  -0.14     0.14   0.27   0.12     0.11   0.25   0.02
    18   1     0.20  -0.03   0.17     0.14   0.10   0.00    -0.16  -0.31  -0.15
    19   1     0.03  -0.11   0.07    -0.15   0.15   0.07    -0.00   0.07   0.01
    20   1    -0.05   0.08   0.14    -0.13   0.13   0.05     0.01   0.05   0.03
    21   1     0.01  -0.03  -0.00    -0.06  -0.17  -0.06    -0.08   0.03   0.02
    22   1    -0.02  -0.00   0.02    -0.04  -0.00  -0.03     0.07  -0.03  -0.21
    23   1    -0.01  -0.01  -0.00    -0.02  -0.02  -0.06     0.06   0.01  -0.07
    24   1    -0.01  -0.02  -0.02    -0.02  -0.04  -0.11     0.04   0.04   0.09
    25   1    -0.00  -0.04   0.03    -0.00  -0.11   0.06     0.02   0.10  -0.05
    26   1    -0.01  -0.01   0.01    -0.01  -0.06   0.03     0.08  -0.03   0.04
    27   1    -0.01   0.01  -0.00    -0.03  -0.03   0.03     0.11  -0.16   0.12
    28   1    -0.04   0.04  -0.13    -0.07   0.01   0.11    -0.05   0.12   0.03
    29   6    -0.04  -0.04  -0.06    -0.03  -0.01   0.01     0.01   0.01   0.01
    30   1     0.33   0.16   0.30    -0.34  -0.02   0.34     0.25   0.03  -0.16
    31   1    -0.02  -0.12   0.04    -0.08  -0.14  -0.21    -0.01  -0.08  -0.06
    32   1     0.06   0.02   0.12     0.05   0.00  -0.08     0.10   0.04   0.01
    33   1    -0.15  -0.24  -0.12     0.16   0.12   0.06     0.08   0.04   0.03
                     28                     29                     30
                      A                      A                      A
 Frequencies --    785.5583               822.9498               832.2749
 Red. masses --      3.0906                 3.3060                 2.5160
 Frc consts  --      1.1237                 1.3192                 1.0268
 IR Inten    --      1.3590                 9.3489                 0.9230
 RamAct Fr= 1--     27.1602                 3.3106                 9.1792
  Dep-P Fr= 1--      0.0242                 0.2068                 0.1071
  Dep-U Fr= 1--      0.0472                 0.3428                 0.1935
 Alpha2 Fr= 1--      0.5703                 0.0441                 0.1579
 Beta2  Fr= 1--      0.2138                 0.1891                 0.2960
 AlphaG Fr= 1--     -0.0252                -0.0206                 0.0233
 Gamma2 Fr= 1--     -1.1733                 0.2210                 0.9295
 Delta2 Fr= 1--     -0.0640                 0.0566                 0.1143
 Raman1 Fr= 1--     108.641                 13.243                 36.717
 ROA1   Fr= 1--    -114.688                 23.030                 92.888
 CID1   Fr= 1--      -1.056                  1.739                  2.530
 Raman2 Fr= 1--       2.566                  2.270                  3.552
 ROA2   Fr= 1--     -27.648                  4.851                 21.393
 CID2   Fr= 1--     -10.775                  2.137                  6.023
 Raman3 Fr= 1--       5.132                  4.539                  7.104
 ROA3   Fr= 1--    -114.688                 23.030                 92.888
 CID3   Fr= 1--     -22.348                  5.073                 13.076
 RC180  Fr= 1--      -0.906                 -0.314                 -0.613
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.08     0.06   0.05  -0.00    -0.03   0.04  -0.05
     2   6     0.03  -0.11  -0.05    -0.04  -0.13  -0.03    -0.01  -0.03  -0.01
     3   6    -0.01  -0.09   0.04     0.05  -0.01  -0.03    -0.05   0.06  -0.06
     4   6    -0.03   0.13   0.05    -0.02   0.08   0.04     0.04  -0.03  -0.01
     5   6    -0.01  -0.05  -0.08     0.03   0.01  -0.04    -0.04   0.02   0.09
     6   6    -0.00   0.05  -0.04     0.03   0.06   0.01    -0.04   0.02   0.07
     7   6     0.03   0.19   0.07    -0.10   0.02   0.03     0.13   0.04   0.00
     8   6    -0.11   0.02   0.02     0.04   0.01   0.00    -0.06   0.04   0.02
     9   6    -0.01  -0.03  -0.16     0.02   0.01   0.01    -0.01  -0.01  -0.10
    10   6     0.02  -0.13   0.10     0.01   0.02  -0.01     0.00  -0.07   0.07
    11   6     0.01   0.04  -0.06    -0.09  -0.03   0.14     0.07  -0.11   0.07
    12   6     0.03  -0.04   0.02     0.28   0.06  -0.10    -0.02   0.06  -0.05
    13   8     0.02  -0.01   0.06    -0.07  -0.01   0.02    -0.03   0.02  -0.08
    14   8    -0.01  -0.02  -0.04    -0.06  -0.02   0.02     0.01   0.04   0.07
    15   1    -0.03   0.32   0.16     0.12   0.01   0.01    -0.02  -0.12  -0.10
    16   1     0.04  -0.05   0.02     0.07  -0.24  -0.16    -0.15  -0.11  -0.07
    17   1     0.06   0.02  -0.03     0.01  -0.33  -0.16    -0.19  -0.28  -0.06
    18   1    -0.01   0.36   0.11     0.02  -0.03  -0.03    -0.06  -0.25  -0.04
    19   1     0.14   0.22   0.08    -0.10   0.06   0.02     0.21   0.11   0.00
    20   1     0.12   0.24   0.08    -0.06   0.01  -0.02     0.23   0.07  -0.01
    21   1    -0.12  -0.04  -0.00    -0.01  -0.14  -0.06    -0.02   0.16   0.06
    22   1     0.05  -0.06  -0.23    -0.06   0.03   0.14     0.07  -0.06  -0.17
    23   1     0.06  -0.06  -0.23    -0.06  -0.01   0.02     0.06  -0.05  -0.20
    24   1     0.03  -0.01  -0.03    -0.03  -0.05  -0.12     0.03   0.01   0.05
    25   1     0.03  -0.03   0.01    -0.01  -0.10   0.05     0.02   0.05  -0.04
    26   1     0.10  -0.20   0.12    -0.05   0.01  -0.02     0.10  -0.16   0.09
    27   1     0.09  -0.19   0.12    -0.08   0.10  -0.07     0.10  -0.15   0.07
    28   1    -0.04  -0.01  -0.08    -0.12   0.24   0.19     0.14  -0.05   0.10
    29   6     0.01   0.02  -0.01    -0.08  -0.08  -0.02    -0.00  -0.06   0.00
    30   1    -0.01  -0.05  -0.18     0.17   0.04  -0.02     0.06   0.10   0.26
    31   1     0.03   0.04   0.12    -0.14  -0.20  -0.32    -0.00   0.11  -0.06
    32   1     0.02   0.04   0.11     0.00  -0.08  -0.21    -0.20  -0.17  -0.26
    33   1    -0.11  -0.12  -0.06     0.19   0.18   0.08     0.06   0.18   0.06
                     31                     32                     33
                      A                      A                      A
 Frequencies --    856.0954               857.7443               869.9837
 Red. masses --      1.3089                 3.2313                 1.7783
 Frc consts  --      0.5652                 1.4007                 0.7930
 IR Inten    --      1.6830                 5.8184                23.1868
 RamAct Fr= 1--      1.9008                10.7772                 2.9345
  Dep-P Fr= 1--      0.3108                 0.2104                 0.0623
  Dep-U Fr= 1--      0.4742                 0.3477                 0.1173
 Alpha2 Fr= 1--      0.0189                 0.1424                 0.0563
 Beta2  Fr= 1--      0.1502                 0.6245                 0.0574
 AlphaG Fr= 1--     -0.0153                -0.0644                -0.0050
 Gamma2 Fr= 1--     -0.5843                 0.3171                 0.4626
 Delta2 Fr= 1--     -0.4117                -0.2527                 0.5675
 Raman1 Fr= 1--       7.603                 43.109                 11.738
 ROA1   Fr= 1--     -69.268                 22.352                 62.565
 CID1   Fr= 1--      -9.110                  0.519                  5.330
 Raman2 Fr= 1--       1.803                  7.493                  0.689
 ROA2   Fr= 1--     -10.730                  9.632                  6.562
 CID2   Fr= 1--      -5.951                  1.285                  9.529
 Raman3 Fr= 1--       3.606                 14.987                  1.377
 ROA3   Fr= 1--     -69.268                 22.352                 62.565
 CID3   Fr= 1--     -19.210                  1.491                 45.431
 RC180  Fr= 1--      -0.052                 -0.305                 -0.765
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.06   0.01    -0.01  -0.04   0.15    -0.02  -0.09  -0.04
     2   6     0.00   0.02   0.01     0.02  -0.05  -0.02     0.02   0.10   0.04
     3   6    -0.00   0.06   0.01     0.05  -0.05   0.15    -0.02  -0.08  -0.05
     4   6     0.01   0.03   0.01    -0.03   0.00   0.01     0.03   0.11   0.04
     5   6    -0.02  -0.09  -0.03     0.01   0.06  -0.14    -0.02  -0.04  -0.01
     6   6    -0.02  -0.07  -0.02    -0.06   0.07  -0.14    -0.02  -0.04  -0.01
     7   6     0.02  -0.01   0.01    -0.11   0.02   0.02     0.05  -0.02  -0.01
     8   6    -0.00  -0.01  -0.00     0.03  -0.01  -0.01    -0.01  -0.04  -0.01
     9   6    -0.00  -0.00  -0.00     0.01   0.01   0.04    -0.01  -0.01   0.03
    10   6    -0.01   0.00  -0.00     0.01   0.03  -0.03    -0.02   0.01  -0.03
    11   6     0.01  -0.02   0.03     0.16  -0.13   0.01     0.03  -0.03   0.05
    12   6     0.02   0.01  -0.02    -0.08   0.05  -0.03     0.05   0.02  -0.03
    13   8    -0.01   0.00  -0.01    -0.02   0.03  -0.08    -0.02   0.01  -0.02
    14   8    -0.00   0.01   0.01     0.02   0.06   0.06    -0.01   0.01   0.02
    15   1    -0.05  -0.36  -0.14    -0.14  -0.03   0.11     0.07   0.57   0.20
    16   1    -0.07  -0.36  -0.14     0.13  -0.15   0.04     0.05   0.52   0.19
    17   1     0.06   0.56   0.21     0.10  -0.07  -0.14    -0.01   0.21   0.08
    18   1     0.06   0.50   0.19    -0.16   0.06  -0.07    -0.00   0.21   0.09
    19   1    -0.01   0.03  -0.01    -0.13   0.01   0.02    -0.03  -0.04  -0.02
    20   1     0.02  -0.04  -0.04    -0.13   0.00   0.01    -0.01  -0.06  -0.03
    21   1     0.01   0.03  -0.00    -0.02  -0.17  -0.06     0.02   0.07   0.02
    22   1     0.00  -0.00  -0.01    -0.05   0.03   0.11     0.02  -0.00  -0.06
    23   1     0.01   0.00   0.01    -0.05   0.01   0.08     0.02   0.04   0.07
    24   1     0.00   0.01   0.00    -0.03  -0.03  -0.08     0.01   0.04   0.07
    25   1     0.00   0.04  -0.02    -0.01  -0.07   0.04     0.00   0.09  -0.03
    26   1     0.01   0.01  -0.00    -0.06   0.06  -0.04     0.01   0.08  -0.04
    27   1     0.02  -0.02   0.01    -0.07   0.09  -0.04     0.03  -0.04   0.04
    28   1     0.01   0.00   0.03     0.23  -0.19   0.01     0.04   0.04   0.07
    29   6    -0.01  -0.02  -0.01     0.06  -0.05   0.00    -0.03  -0.07  -0.02
    30   1     0.02   0.02   0.03     0.04   0.10   0.24     0.04   0.03   0.06
    31   1    -0.01   0.02  -0.03     0.11   0.33   0.18    -0.03   0.06  -0.04
    32   1    -0.06  -0.05  -0.07    -0.31  -0.20  -0.22    -0.15  -0.13  -0.18
    33   1     0.00   0.04   0.01    -0.09   0.12   0.02     0.00   0.09   0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --    900.7413               942.7612               958.7782
 Red. masses --      1.5468                 1.2134                 1.5498
 Frc consts  --      0.7394                 0.6354                 0.8394
 IR Inten    --      0.1895                 0.3212                 0.0395
 RamAct Fr= 1--      0.9887                 0.5986                 4.9836
  Dep-P Fr= 1--      0.5988                 0.4943                 0.7499
  Dep-U Fr= 1--      0.7491                 0.6616                 0.8571
 Alpha2 Fr= 1--      0.0028                 0.0030                 0.0000
 Beta2  Fr= 1--      0.1234                 0.0660                 0.7119
 AlphaG Fr= 1--     -0.0011                 0.0039                 0.0009
 Gamma2 Fr= 1--      0.1863                -0.3000                 0.5368
 Delta2 Fr= 1--      0.3560                -0.2104                -0.8936
 Raman1 Fr= 1--       3.955                  2.394                 19.935
 ROA1   Fr= 1--      29.277                -35.537                 22.941
 CID1   Fr= 1--       7.402                -14.841                  1.151
 Raman2 Fr= 1--       1.481                  0.792                  8.543
 ROA2   Fr= 1--       1.623                 -5.518                 20.033
 CID2   Fr= 1--       1.095                 -6.966                  2.345
 Raman3 Fr= 1--       2.963                  1.584                 17.086
 ROA3   Fr= 1--      29.277                -35.537                 22.941
 CID3   Fr= 1--       9.882                -22.432                  1.343
 RC180  Fr= 1--       0.498                  0.323                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01  -0.03     0.00  -0.01   0.01     0.00  -0.00   0.01
     2   6     0.00  -0.01   0.01    -0.00   0.00  -0.01    -0.01   0.00   0.00
     3   6    -0.03   0.00  -0.01     0.01  -0.00   0.00     0.01  -0.03   0.01
     4   6     0.00  -0.01   0.01    -0.00   0.00  -0.01     0.00   0.02   0.01
     5   6     0.03   0.01  -0.01    -0.01  -0.00   0.00    -0.01  -0.09  -0.05
     6   6     0.01   0.02  -0.03    -0.00  -0.00   0.01     0.01   0.10   0.03
     7   6     0.02  -0.06   0.16    -0.01   0.03  -0.06    -0.04  -0.07  -0.02
     8   6     0.01  -0.02   0.05     0.00  -0.01   0.02     0.01   0.08   0.03
     9   6     0.05  -0.01  -0.05     0.05  -0.06   0.01     0.01   0.04  -0.06
    10   6    -0.05   0.04  -0.02    -0.04   0.04   0.06     0.02  -0.01   0.06
    11   6    -0.00   0.00  -0.01     0.00   0.00   0.00     0.01   0.01   0.01
    12   6    -0.01  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    13   8     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    15   1    -0.03   0.03  -0.03     0.01  -0.01   0.02    -0.01  -0.04  -0.00
    16   1    -0.06   0.03   0.04     0.03  -0.00  -0.01     0.04   0.13   0.06
    17   1     0.07  -0.06  -0.01    -0.03   0.01   0.00     0.09   0.56   0.19
    18   1     0.02  -0.02  -0.06    -0.01  -0.01   0.02    -0.08  -0.56  -0.22
    19   1    -0.16   0.49   0.01     0.08  -0.20  -0.00    -0.05  -0.05  -0.02
    20   1     0.12  -0.36  -0.35    -0.06   0.14   0.15    -0.04  -0.07  -0.01
    21   1    -0.02   0.07  -0.20    -0.03   0.10  -0.27     0.01   0.09   0.03
    22   1    -0.10   0.04   0.14    -0.11   0.11  -0.15     0.01  -0.02   0.13
    23   1    -0.13  -0.02   0.01    -0.12   0.17   0.41     0.00  -0.10  -0.25
    24   1    -0.05  -0.09  -0.33    -0.03   0.06  -0.37    -0.01  -0.07  -0.01
    25   1    -0.01   0.29  -0.19    -0.05   0.20  -0.31    -0.01  -0.05  -0.04
    26   1     0.13   0.02  -0.00     0.19  -0.39   0.16     0.05  -0.23   0.11
    27   1     0.13  -0.11   0.05     0.07   0.03  -0.20    -0.02   0.06  -0.11
    28   1    -0.03  -0.02  -0.02     0.01   0.01   0.01     0.02   0.02   0.01
    29   6     0.00   0.01  -0.00    -0.00  -0.00   0.00    -0.01  -0.02  -0.01
    30   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    31   1     0.01   0.00   0.03    -0.01  -0.00  -0.01    -0.01   0.01  -0.01
    32   1     0.01   0.02   0.03    -0.00  -0.00  -0.01    -0.03  -0.03  -0.03
    33   1    -0.03  -0.03  -0.02     0.01   0.01   0.01    -0.01   0.01  -0.00
                     37                     38                     39
                      A                      A                      A
 Frequencies --    970.0690               973.8051               982.0901
 Red. masses --      1.6845                 1.5729                 1.4181
 Frc consts  --      0.9339                 0.8788                 0.8058
 IR Inten    --      0.2446                 0.0142                 0.0483
 RamAct Fr= 1--      3.7789                 2.9809                 0.2909
  Dep-P Fr= 1--      0.7115                 0.6740                 0.6733
  Dep-U Fr= 1--      0.8314                 0.8053                 0.8048
 Alpha2 Fr= 1--      0.0025                 0.0040                 0.0004
 Beta2  Fr= 1--      0.5237                 0.4001                 0.0390
 AlphaG Fr= 1--      0.0207                 0.0016                -0.0011
 Gamma2 Fr= 1--     -1.8329                -0.2426                 0.6893
 Delta2 Fr= 1--      0.5813                 0.1362                -0.0147
 Raman1 Fr= 1--      15.116                 11.924                  1.164
 ROA1   Fr= 1--    -157.355                -18.933                 65.708
 CID1   Fr= 1--     -10.410                 -1.588                 56.469
 Raman2 Fr= 1--       6.284                  4.801                  0.468
 ROA2   Fr= 1--     -48.640                 -6.912                 16.662
 CID2   Fr= 1--      -7.740                 -1.440                 35.586
 Raman3 Fr= 1--      12.568                  9.602                  0.936
 ROA3   Fr= 1--    -157.355                -18.933                 65.708
 CID3   Fr= 1--     -12.521                 -1.972                 70.169
 RC180  Fr= 1--       0.663                  0.611                  0.610
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.03   0.02     0.00  -0.00   0.01    -0.01  -0.11  -0.05
     2   6    -0.01   0.04   0.02    -0.00   0.00  -0.00    -0.01   0.03   0.01
     3   6     0.01  -0.06  -0.00     0.01  -0.00   0.00     0.02   0.10   0.04
     4   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.01  -0.02  -0.00
     5   6     0.02   0.07   0.01    -0.00   0.00   0.00     0.01   0.01  -0.01
     6   6    -0.01  -0.08  -0.04    -0.00  -0.01   0.00     0.00  -0.02  -0.00
     7   6    -0.05  -0.11  -0.03    -0.01   0.01  -0.05    -0.02  -0.05  -0.02
     8   6     0.01   0.10   0.04    -0.01   0.05  -0.10     0.01   0.04   0.02
     9   6     0.00   0.04  -0.07     0.05   0.09   0.09    -0.00   0.02  -0.03
    10   6     0.02  -0.00   0.08    -0.03  -0.13   0.02     0.00  -0.00   0.03
    11   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.02  -0.00
    12   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    13   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   8     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    15   1    -0.03  -0.22  -0.07     0.00  -0.01   0.01     0.09   0.62   0.22
    16   1     0.06   0.30   0.12     0.02   0.00  -0.00    -0.06  -0.60  -0.23
    17   1    -0.02  -0.35  -0.14    -0.02  -0.02  -0.01    -0.00  -0.05  -0.03
    18   1     0.07   0.48   0.17     0.00   0.04   0.02     0.02   0.09   0.04
    19   1    -0.10  -0.11  -0.04     0.01  -0.12  -0.02    -0.06  -0.07  -0.02
    20   1    -0.09  -0.12  -0.03    -0.02   0.09   0.06    -0.06  -0.07  -0.02
    21   1     0.04   0.16   0.08    -0.04   0.14  -0.34     0.03   0.10   0.04
    22   1     0.03  -0.04   0.11    -0.12   0.06   0.56     0.02  -0.02   0.05
    23   1     0.04  -0.11  -0.30    -0.14  -0.11  -0.09     0.02  -0.05  -0.14
    24   1     0.00  -0.06   0.03    -0.07  -0.14  -0.10     0.00  -0.02   0.03
    25   1    -0.02  -0.05  -0.07     0.06   0.18  -0.00    -0.01   0.00  -0.04
    26   1     0.07  -0.31   0.14     0.13   0.11  -0.01     0.05  -0.13   0.06
    27   1    -0.02   0.10  -0.16     0.22  -0.40   0.32    -0.00   0.03  -0.06
    28   1     0.01   0.02   0.00     0.01   0.01   0.00    -0.04  -0.05  -0.02
    29   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.01   0.02   0.01
    30   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    31   1    -0.01  -0.01  -0.01    -0.00  -0.00  -0.01     0.02   0.01   0.02
    32   1     0.00  -0.00  -0.00     0.00  -0.00  -0.01     0.02   0.03   0.04
    33   1     0.01   0.00   0.00     0.01   0.01   0.00    -0.01  -0.01  -0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1014.7583              1046.8568              1083.8084
 Red. masses --      1.9263                 2.8537                 2.1334
 Frc consts  --      1.1687                 1.8426                 1.4765
 IR Inten    --      2.3007                 4.2446                52.2738
 RamAct Fr= 1--      9.1348                 0.1143                 2.1151
  Dep-P Fr= 1--      0.2280                 0.5380                 0.7373
  Dep-U Fr= 1--      0.3714                 0.6996                 0.8488
 Alpha2 Fr= 1--      0.1150                 0.0005                 0.0005
 Beta2  Fr= 1--      0.5654                 0.0133                 0.2992
 AlphaG Fr= 1--      0.0229                -0.0017                 0.0018
 Gamma2 Fr= 1--     -0.4399                 0.0139                 0.8421
 Delta2 Fr= 1--     -1.3309                 0.1251                 1.3580
 Raman1 Fr= 1--      36.539                  0.457                  8.460
 ROA1   Fr= 1--     -84.817                  5.336                124.302
 CID1   Fr= 1--      -2.321                 11.667                 14.692
 Raman2 Fr= 1--       6.785                  0.160                  3.590
 ROA2   Fr= 1--       0.090                 -0.668                  9.348
 CID2   Fr= 1--       0.013                 -4.177                  2.604
 Raman3 Fr= 1--      13.570                  0.320                  7.181
 ROA3   Fr= 1--     -84.817                  5.336                124.302
 CID3   Fr= 1--      -6.250                 16.676                 17.310
 RC180  Fr= 1--      -0.257                  0.399                  0.698
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.03   0.06    -0.00  -0.07   0.19     0.01   0.01  -0.03
     2   6    -0.00   0.00  -0.02     0.03  -0.01  -0.00    -0.00  -0.02   0.04
     3   6     0.00   0.01   0.05    -0.05   0.08  -0.19    -0.01   0.01   0.00
     4   6     0.06  -0.02  -0.04     0.04  -0.00   0.00     0.05  -0.03   0.02
     5   6     0.00   0.00   0.02    -0.01  -0.07   0.18     0.02   0.02  -0.05
     6   6    -0.03   0.02  -0.03    -0.06   0.08  -0.19    -0.05   0.02  -0.03
     7   6     0.01  -0.00   0.01    -0.01  -0.00  -0.00     0.01  -0.01   0.02
     8   6     0.00  -0.01   0.01    -0.00   0.01  -0.00    -0.00   0.03  -0.07
     9   6     0.00  -0.00  -0.01     0.00   0.00  -0.00    -0.02  -0.01   0.04
    10   6    -0.00   0.00  -0.01     0.01   0.00   0.01     0.02  -0.02   0.03
    11   6     0.10   0.15  -0.02    -0.01  -0.02   0.02     0.09   0.03   0.17
    12   6    -0.07  -0.02   0.04     0.00  -0.00  -0.01    -0.01   0.08   0.04
    13   8     0.03  -0.01   0.02    -0.00   0.00  -0.01    -0.00   0.01   0.00
    14   8     0.01  -0.02  -0.02    -0.00   0.00   0.00    -0.01  -0.05  -0.09
    15   1    -0.11   0.06   0.06     0.32  -0.14   0.31     0.06   0.01  -0.01
    16   1    -0.04  -0.15   0.01     0.20   0.10  -0.37    -0.18  -0.04   0.11
    17   1    -0.02  -0.06  -0.01     0.30  -0.15   0.29     0.09  -0.02  -0.04
    18   1    -0.00   0.03  -0.05     0.20   0.12  -0.37    -0.18  -0.01   0.05
    19   1     0.03   0.03   0.00    -0.05  -0.02  -0.00    -0.25  -0.06  -0.02
    20   1    -0.03  -0.03  -0.01    -0.02  -0.00   0.00     0.25   0.07  -0.03
    21   1     0.01   0.00   0.02    -0.01  -0.02  -0.01     0.00   0.07  -0.09
    22   1     0.00  -0.00  -0.01    -0.00   0.00   0.02     0.01   0.00  -0.09
    23   1     0.00  -0.01  -0.02    -0.00  -0.01  -0.01     0.03   0.05   0.11
    24   1     0.00  -0.00  -0.00    -0.00  -0.01  -0.00     0.01   0.07   0.09
    25   1     0.00   0.02  -0.00    -0.00  -0.02  -0.00     0.00  -0.08   0.01
    26   1    -0.00   0.03  -0.01    -0.00  -0.03   0.01     0.00  -0.10   0.04
    27   1     0.00  -0.01   0.01    -0.01   0.02  -0.02    -0.01   0.03  -0.04
    28   1     0.46   0.44   0.11    -0.10  -0.07  -0.01     0.05  -0.30   0.09
    29   6    -0.12  -0.08  -0.02     0.00   0.02  -0.01    -0.06   0.02  -0.12
    30   1    -0.01  -0.04  -0.06     0.00   0.00   0.01     0.08   0.06   0.26
    31   1    -0.21  -0.26  -0.44     0.01  -0.03   0.04    -0.04  -0.25   0.06
    32   1     0.06  -0.06  -0.23     0.03   0.04   0.07     0.13   0.13   0.27
    33   1     0.22   0.16   0.08    -0.03  -0.06  -0.03    -0.18  -0.41  -0.23
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1094.9762              1103.6130              1110.5701
 Red. masses --      1.5980                 2.0149                 1.4884
 Frc consts  --      1.1288                 1.4459                 1.0816
 IR Inten    --      7.7307                38.3290                 2.1508
 RamAct Fr= 1--      2.4438                 7.7978                 2.5638
  Dep-P Fr= 1--      0.6663                 0.1758                 0.2989
  Dep-U Fr= 1--      0.7998                 0.2990                 0.4602
 Alpha2 Fr= 1--      0.0036                 0.1128                 0.0264
 Beta2  Fr= 1--      0.3257                 0.3886                 0.1967
 AlphaG Fr= 1--     -0.0110                 0.0539                -0.0049
 Gamma2 Fr= 1--      0.0570                -1.9516                 0.8912
 Delta2 Fr= 1--      0.1832                -0.7916                 0.6926
 Raman1 Fr= 1--       9.775                 31.191                 10.255
 ROA1   Fr= 1--      11.339               -212.682                107.724
 CID1   Fr= 1--       1.160                 -6.819                 10.504
 Raman2 Fr= 1--       3.909                  4.664                  2.360
 ROA2   Fr= 1--      -0.096                -40.505                 15.849
 CID2   Fr= 1--      -0.025                 -8.685                  6.716
 Raman3 Fr= 1--       7.818                  9.328                  4.720
 ROA3   Fr= 1--      11.339               -212.682                107.724
 CID3   Fr= 1--       1.450                -22.802                 22.824
 RC180  Fr= 1--       0.600                 -0.402                 -0.080
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01  -0.05     0.02  -0.01   0.01     0.01   0.01   0.01
     2   6     0.02  -0.01   0.04     0.02   0.02  -0.03    -0.07  -0.04  -0.01
     3   6    -0.03   0.02  -0.03     0.01   0.02  -0.02     0.02  -0.00   0.01
     4   6    -0.04  -0.04   0.03    -0.05  -0.04  -0.01    -0.01  -0.01   0.00
     5   6     0.02   0.01  -0.01    -0.03   0.01   0.02     0.02   0.01  -0.02
     6   6     0.01   0.01  -0.03     0.02  -0.02   0.03    -0.00   0.01  -0.00
     7   6     0.00  -0.02   0.04    -0.01   0.01  -0.05    -0.02   0.03   0.01
     8   6    -0.03   0.03  -0.10    -0.02  -0.04   0.09     0.13   0.02   0.00
     9   6    -0.02  -0.01   0.05     0.04   0.03  -0.04    -0.07  -0.03  -0.00
    10   6     0.05  -0.01   0.04    -0.02   0.02  -0.03    -0.07  -0.03  -0.01
    11   6    -0.02   0.09  -0.03     0.02   0.12   0.11    -0.01   0.03   0.01
    12   6    -0.02  -0.02   0.01    -0.01   0.06   0.05    -0.00   0.00   0.01
    13   8     0.02  -0.02   0.02     0.02  -0.02   0.03     0.00  -0.01   0.01
    14   8     0.01   0.00   0.01    -0.01  -0.04  -0.07    -0.00  -0.01  -0.01
    15   1     0.08   0.02  -0.03     0.06  -0.01   0.02     0.08  -0.08   0.03
    16   1    -0.11  -0.03   0.00     0.10  -0.02  -0.11     0.07  -0.01  -0.03
    17   1     0.16  -0.07   0.03    -0.10  -0.03  -0.02     0.06  -0.02  -0.01
    18   1    -0.02  -0.00  -0.01     0.02   0.00   0.05     0.04  -0.04  -0.06
    19   1    -0.33  -0.03  -0.02     0.37   0.04   0.02    -0.18  -0.10   0.00
    20   1     0.36   0.08  -0.06    -0.26  -0.03   0.07    -0.25  -0.09  -0.01
    21   1    -0.05  -0.01  -0.16    -0.05  -0.18   0.10     0.27   0.47   0.17
    22   1    -0.01   0.01  -0.06    -0.04   0.02   0.18     0.12  -0.08  -0.29
    23   1     0.01   0.06   0.13    -0.07  -0.08  -0.14     0.15   0.06   0.02
    24   1     0.01   0.06   0.08    -0.03  -0.12  -0.16     0.05   0.13   0.23
    25   1     0.00  -0.16   0.04    -0.01   0.05  -0.00     0.01   0.28  -0.09
    26   1    -0.02  -0.15   0.06    -0.03   0.10  -0.05     0.14   0.10  -0.02
    27   1    -0.05   0.09  -0.09    -0.02   0.01   0.03     0.18  -0.26   0.15
    28   1    -0.17   0.37   0.01    -0.14   0.13   0.08    -0.08   0.08   0.01
    29   6     0.06  -0.08  -0.00     0.05  -0.08  -0.09     0.02  -0.02  -0.01
    30   1    -0.04  -0.04  -0.12     0.03   0.02   0.13    -0.00  -0.01  -0.00
    31   1     0.10   0.30   0.11     0.13   0.26   0.26     0.04   0.10   0.07
    32   1    -0.28  -0.21  -0.23    -0.31  -0.20  -0.08    -0.10  -0.07  -0.04
    33   1    -0.12   0.15   0.02    -0.32  -0.11  -0.15    -0.08   0.01  -0.02
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1146.2330              1161.7590              1203.1650
 Red. masses --      1.5544                 2.0634                 2.0141
 Frc consts  --      1.2032                 1.6409                 1.7178
 IR Inten    --     44.6007               147.7013                 2.7706
 RamAct Fr= 1--      0.6937                 1.0865                 7.3185
  Dep-P Fr= 1--      0.0585                 0.6411                 0.2028
  Dep-U Fr= 1--      0.1105                 0.7813                 0.3373
 Alpha2 Fr= 1--      0.0134                 0.0021                 0.0986
 Beta2  Fr= 1--      0.0128                 0.1415                 0.4114
 AlphaG Fr= 1--      0.0248                -0.0075                 0.0028
 Gamma2 Fr= 1--     -0.2052                -1.3103                 0.3648
 Delta2 Fr= 1--     -0.2116                -0.7678                -0.1098
 Raman1 Fr= 1--       2.775                  4.346                 29.274
 ROA1   Fr= 1--     -26.467               -150.360                 31.505
 CID1   Fr= 1--      -9.539                -34.596                  1.076
 Raman2 Fr= 1--       0.153                  1.698                  4.937
 ROA2   Fr= 1--      -3.232                -25.305                  9.633
 CID2   Fr= 1--     -21.085                -14.904                  1.951
 Raman3 Fr= 1--       0.307                  3.396                  9.873
 ROA3   Fr= 1--     -26.467               -150.360                 31.505
 CID3   Fr= 1--     -86.348                -44.279                  3.191
 RC180  Fr= 1--      -0.779                  0.563                 -0.325
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.00   0.02    -0.05   0.00   0.02    -0.02  -0.01   0.01
     2   6    -0.00   0.01  -0.02    -0.00   0.00  -0.01    -0.07   0.03   0.02
     3   6     0.06  -0.01   0.01     0.05  -0.00  -0.00     0.03  -0.01   0.01
     4   6    -0.05   0.02  -0.03     0.05  -0.02  -0.01     0.03  -0.00  -0.00
     5   6    -0.06  -0.01   0.04    -0.04   0.01  -0.01     0.02   0.00  -0.02
     6   6     0.08  -0.01   0.01     0.03  -0.00  -0.01    -0.02   0.00  -0.01
     7   6     0.00  -0.02   0.05     0.00  -0.01   0.01    -0.00  -0.07  -0.02
     8   6    -0.00   0.02  -0.05    -0.00   0.01  -0.01    -0.08   0.17   0.08
     9   6    -0.02  -0.01   0.02    -0.00  -0.00   0.01     0.07  -0.10  -0.02
    10   6     0.02  -0.01   0.02     0.01  -0.00   0.00     0.07  -0.08  -0.07
    11   6    -0.01  -0.01  -0.01     0.03   0.03   0.12    -0.02   0.00  -0.00
    12   6     0.02   0.08   0.04    -0.02  -0.14  -0.09     0.00   0.01   0.00
    13   8     0.01  -0.01   0.02    -0.02   0.03  -0.05     0.00  -0.00   0.00
    14   8    -0.02  -0.03  -0.07     0.03   0.04   0.12    -0.00  -0.00  -0.01
    15   1    -0.39   0.09  -0.10    -0.30   0.06  -0.07     0.05  -0.01   0.05
    16   1     0.35   0.04  -0.20     0.24   0.01  -0.14     0.05  -0.00   0.00
    17   1    -0.34   0.07  -0.05    -0.36   0.07  -0.13     0.02   0.01  -0.03
    18   1     0.46   0.03  -0.26     0.18   0.02  -0.11     0.05   0.03  -0.05
    19   1    -0.15   0.04   0.00    -0.03   0.02   0.00     0.08   0.03  -0.02
    20   1     0.12  -0.03  -0.06     0.04  -0.01  -0.02     0.08   0.01   0.02
    21   1    -0.00   0.05  -0.10    -0.01   0.01  -0.03    -0.03   0.35   0.13
    22   1     0.01  -0.01  -0.05    -0.00   0.00  -0.01    -0.14   0.12  -0.20
    23   1     0.02   0.03   0.06     0.00   0.01   0.02    -0.10   0.11   0.34
    24   1     0.01   0.05   0.07     0.00   0.01   0.01     0.02   0.09  -0.39
    25   1     0.00  -0.06   0.01     0.00  -0.02   0.01     0.10  -0.19   0.34
    26   1    -0.00  -0.07   0.03    -0.00  -0.02   0.01    -0.16   0.29  -0.15
    27   1    -0.01   0.03  -0.03    -0.01   0.01  -0.00    -0.08  -0.05   0.25
    28   1     0.14  -0.18  -0.02    -0.20   0.25   0.13    -0.06   0.00  -0.01
    29   6     0.01  -0.01   0.02    -0.01   0.02  -0.09     0.01  -0.00   0.01
    30   1     0.05   0.07   0.24    -0.10  -0.13  -0.45     0.00   0.01   0.02
    31   1     0.01   0.04  -0.00     0.02  -0.07   0.14     0.01   0.02   0.00
    32   1    -0.03  -0.04  -0.04     0.02   0.07   0.18    -0.02  -0.01  -0.01
    33   1     0.02   0.05   0.03    -0.17  -0.25  -0.17    -0.01   0.02   0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1213.3323              1223.5745              1236.6323
 Red. masses --      1.3015                 2.0250                 2.4786
 Frc consts  --      1.1289                 1.7862                 2.2332
 IR Inten    --      3.8660                 5.7782                 6.1439
 RamAct Fr= 1--     45.4276                33.7383                29.2898
  Dep-P Fr= 1--      0.1068                 0.1802                 0.1692
  Dep-U Fr= 1--      0.1930                 0.3054                 0.2895
 Alpha2 Fr= 1--      0.7822                 0.4826                 0.4311
 Beta2  Fr= 1--      1.4613                 1.7174                 1.4131
 AlphaG Fr= 1--     -0.2666                -0.0550                -0.1401
 Gamma2 Fr= 1--     -3.3518                -1.0043                 0.1723
 Delta2 Fr= 1--      0.8360                -0.4597                 0.2356
 Raman1 Fr= 1--     181.711                134.953                117.159
 ROA1   Fr= 1--    -295.021               -111.119                 24.084
 CID1   Fr= 1--      -1.624                 -0.823                  0.206
 Raman2 Fr= 1--      17.535                 20.608                 16.957
 ROA2   Fr= 1--     -87.131                -20.425                  2.251
 CID2   Fr= 1--      -4.969                 -0.991                  0.133
 Raman3 Fr= 1--      35.070                 41.217                 33.913
 ROA3   Fr= 1--    -295.021               -111.119                 24.084
 CID3   Fr= 1--      -8.412                 -2.696                  0.710
 RC180  Fr= 1--      -0.614                 -0.389                 -0.421
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02  -0.04    -0.10   0.00   0.04     0.03  -0.00  -0.01
     2   6     0.04  -0.00  -0.01    -0.04   0.00   0.02     0.28  -0.04  -0.03
     3   6     0.01   0.01  -0.03     0.08  -0.00  -0.03    -0.07   0.03  -0.05
     4   6    -0.11   0.01   0.00     0.21  -0.03  -0.01     0.06  -0.01   0.01
     5   6     0.02  -0.02   0.04     0.06  -0.00  -0.02    -0.07  -0.01   0.05
     6   6    -0.00  -0.02   0.05    -0.08   0.02  -0.02     0.04   0.00  -0.03
     7   6    -0.02  -0.00   0.00     0.03   0.01  -0.01    -0.12   0.01   0.01
     8   6     0.00   0.02   0.01     0.00  -0.03  -0.01     0.02   0.08   0.05
     9   6     0.00  -0.01  -0.00    -0.00   0.02   0.00     0.01  -0.03  -0.01
    10   6     0.00  -0.01  -0.01    -0.01   0.01   0.01    -0.01  -0.03  -0.02
    11   6     0.05   0.00   0.00    -0.09  -0.00  -0.01     0.01  -0.01  -0.01
    12   6    -0.00  -0.01  -0.01    -0.00   0.02   0.02    -0.01   0.00   0.01
    13   8    -0.00   0.01  -0.01     0.01  -0.01   0.02     0.00  -0.00   0.01
    14   8     0.00   0.00   0.01    -0.01  -0.00  -0.03    -0.00   0.00  -0.01
    15   1    -0.34   0.10  -0.17    -0.51   0.10  -0.11    -0.29   0.09  -0.13
    16   1     0.38   0.06  -0.30     0.24   0.02  -0.13    -0.31  -0.00   0.11
    17   1     0.52  -0.15   0.23     0.07   0.00  -0.03    -0.38   0.07  -0.06
    18   1    -0.29  -0.06   0.26    -0.42  -0.03   0.22    -0.24  -0.04   0.20
    19   1    -0.04   0.01  -0.00     0.04   0.00  -0.00    -0.42  -0.14  -0.02
    20   1    -0.05  -0.01   0.01     0.07   0.03   0.01    -0.28  -0.04   0.04
    21   1     0.00   0.03   0.00     0.00  -0.04   0.01    -0.00  -0.03   0.08
    22   1    -0.01   0.01  -0.04     0.01  -0.01   0.04    -0.01   0.02  -0.11
    23   1     0.00   0.01   0.03    -0.00  -0.02  -0.05     0.01   0.02   0.06
    24   1     0.00   0.02  -0.02    -0.01  -0.03   0.03     0.01   0.04  -0.08
    25   1     0.01  -0.01   0.03    -0.01   0.02  -0.04     0.02   0.05   0.07
    26   1    -0.00   0.03  -0.01     0.01  -0.03   0.02     0.01   0.09  -0.04
    27   1     0.00  -0.02   0.03     0.01   0.01  -0.03     0.02  -0.09   0.11
    28   1     0.24  -0.03   0.03    -0.48   0.05  -0.07    -0.18   0.03  -0.03
    29   6    -0.01   0.00  -0.02     0.02  -0.01   0.04    -0.00   0.00   0.01
    30   1    -0.01  -0.02  -0.07     0.03   0.05   0.17     0.02   0.03   0.09
    31   1    -0.00  -0.03   0.02     0.01   0.05  -0.02    -0.02  -0.02  -0.04
    32   1     0.03   0.03   0.04    -0.07  -0.05  -0.06     0.01  -0.00  -0.03
    33   1     0.01  -0.04  -0.02    -0.01   0.09   0.05     0.02   0.01   0.02
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1244.6636              1280.6688              1309.6786
 Red. masses --      1.3864                 1.7431                 1.5941
 Frc consts  --      1.2654                 1.6844                 1.6110
 IR Inten    --      0.5742                 2.8847                 4.7985
 RamAct Fr= 1--      5.2533                 4.0637                 6.8086
  Dep-P Fr= 1--      0.7241                 0.5846                 0.4621
  Dep-U Fr= 1--      0.8400                 0.7378                 0.6321
 Alpha2 Fr= 1--      0.0023                 0.0126                 0.0397
 Beta2  Fr= 1--      0.7354                 0.4997                 0.7173
 AlphaG Fr= 1--     -0.0250                 0.0052                -0.0506
 Gamma2 Fr= 1--      1.1878                 0.3294                -2.0308
 Delta2 Fr= 1--      0.5803                -0.4417                 1.5232
 Raman1 Fr= 1--      21.013                 16.255                 27.235
 ROA1   Fr= 1--     132.596                 17.491               -146.216
 CID1   Fr= 1--       6.310                  1.076                 -5.369
 Raman2 Fr= 1--       8.825                  5.997                  8.608
 ROA2   Fr= 1--      23.865                 11.439                -60.925
 CID2   Fr= 1--       2.704                  1.908                 -7.078
 Raman3 Fr= 1--      17.650                 11.994                 17.216
 ROA3   Fr= 1--     132.596                 17.491               -146.216
 CID3   Fr= 1--       7.512                  1.458                 -8.493
 RC180  Fr= 1--       0.680                  0.476                  0.264
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.02  -0.04     0.02  -0.01   0.03     0.03  -0.01   0.02
     2   6    -0.02  -0.02   0.08     0.01   0.00  -0.02    -0.00   0.00  -0.03
     3   6     0.02   0.00  -0.02    -0.01  -0.01   0.03    -0.02  -0.01   0.03
     4   6    -0.02  -0.01   0.04     0.07   0.03  -0.12     0.01   0.03  -0.08
     5   6    -0.02   0.01  -0.02     0.03  -0.02   0.04     0.02  -0.01   0.02
     6   6     0.02   0.01  -0.03    -0.04   0.00   0.01    -0.03  -0.00   0.02
     7   6     0.00   0.02  -0.04    -0.00   0.00   0.00     0.02   0.01   0.01
     8   6     0.01  -0.04   0.09    -0.00  -0.00   0.01    -0.02  -0.02  -0.00
     9   6     0.05   0.02  -0.03     0.01   0.00  -0.00     0.01   0.00  -0.00
    10   6    -0.05   0.01  -0.02    -0.01   0.00  -0.00     0.00   0.01   0.00
    11   6     0.03  -0.00  -0.01    -0.14   0.06   0.04    -0.07  -0.06   0.00
    12   6    -0.01  -0.00   0.00     0.05   0.05   0.02     0.00  -0.10  -0.06
    13   8     0.00  -0.00   0.00    -0.02   0.01  -0.04     0.02   0.00   0.05
    14   8     0.00   0.00  -0.00     0.01  -0.03   0.03    -0.02   0.05  -0.03
    15   1    -0.07   0.02  -0.05    -0.22   0.05  -0.05    -0.13   0.02  -0.04
    16   1     0.03   0.01  -0.02    -0.23  -0.04   0.19    -0.12  -0.02   0.10
    17   1     0.07  -0.01   0.01     0.10  -0.04   0.06     0.11  -0.03   0.06
    18   1     0.16   0.03  -0.13     0.04   0.01  -0.05     0.08   0.00  -0.06
    19   1    -0.38  -0.31  -0.05    -0.16  -0.07  -0.01    -0.15  -0.07  -0.01
    20   1     0.46   0.31   0.08     0.10   0.05   0.01    -0.01  -0.02  -0.02
    21   1     0.05  -0.17   0.44     0.01  -0.04   0.11     0.02   0.06   0.09
    22   1    -0.02   0.02   0.11    -0.01   0.01   0.02    -0.01   0.01   0.03
    23   1    -0.06  -0.05  -0.08    -0.01  -0.01  -0.00    -0.03  -0.01  -0.00
    24   1    -0.02  -0.11  -0.16    -0.00  -0.02  -0.03    -0.00  -0.02  -0.04
    25   1    -0.01   0.18  -0.06    -0.00   0.03  -0.01    -0.00  -0.02  -0.00
    26   1     0.04   0.08  -0.03     0.01   0.01  -0.00    -0.02  -0.02   0.00
    27   1     0.03  -0.07   0.05     0.01  -0.02   0.01    -0.01   0.01  -0.00
    28   1    -0.00   0.02  -0.01     0.51  -0.39   0.05     0.31   0.49   0.20
    29   6    -0.01   0.00   0.00     0.05  -0.02  -0.01     0.03   0.03  -0.05
    30   1     0.01   0.01   0.02    -0.10  -0.16  -0.43     0.10   0.21   0.57
    31   1    -0.02  -0.02  -0.02     0.06   0.11   0.06     0.07   0.02   0.15
    32   1     0.03   0.01  -0.01    -0.14  -0.07   0.01    -0.02   0.05   0.15
    33   1     0.03   0.00   0.01    -0.15   0.02  -0.03    -0.09  -0.09  -0.09
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1309.8917              1349.7126              1366.3219
 Red. masses --      1.5336                 2.2388                 1.4489
 Frc consts  --      1.5504                 2.4029                 1.5937
 IR Inten    --      8.2508                 0.1937                 0.1345
 RamAct Fr= 1--     26.9670                 1.7658                 1.2098
  Dep-P Fr= 1--      0.2790                 0.6844                 0.6115
  Dep-U Fr= 1--      0.4362                 0.8126                 0.7590
 Alpha2 Fr= 1--      0.2943                 0.0020                 0.0031
 Beta2  Fr= 1--      1.9606                 0.2392                 0.1530
 AlphaG Fr= 1--     -0.1524                 0.0179                 0.0026
 Gamma2 Fr= 1--     -0.8163                 4.3590                 0.3571
 Delta2 Fr= 1--     -0.8350                 2.5082                 0.2591
 Raman1 Fr= 1--     107.868                  7.063                  4.839
 ROA1   Fr= 1--    -105.081                498.729                 42.571
 CID1   Fr= 1--      -0.974                 70.610                  8.797
 Raman2 Fr= 1--      23.527                  2.870                  1.836
 ROA2   Fr= 1--     -12.911                 84.552                  6.498
 CID2   Fr= 1--      -0.549                 29.461                  3.538
 Raman3 Fr= 1--      47.054                  5.740                  3.673
 ROA3   Fr= 1--    -105.081                498.729                 42.571
 CID3   Fr= 1--      -2.233                 86.889                 11.591
 RC180  Fr= 1--      -0.128                  0.625                  0.518
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01  -0.01    -0.09   0.02  -0.03    -0.08   0.02  -0.02
     2   6    -0.01  -0.03  -0.01     0.02  -0.07   0.17    -0.00   0.01  -0.02
     3   6     0.00   0.00  -0.00     0.11   0.01  -0.08     0.02  -0.00  -0.01
     4   6    -0.01  -0.01   0.02     0.03  -0.03   0.07     0.03  -0.04   0.10
     5   6    -0.00   0.00  -0.00    -0.12   0.03  -0.05    -0.01  -0.00   0.00
     6   6     0.01   0.01  -0.00     0.07   0.01  -0.06     0.07   0.01  -0.05
     7   6     0.10   0.08   0.02    -0.00   0.01  -0.04     0.00  -0.01   0.02
     8   6    -0.10  -0.09  -0.02     0.01  -0.03   0.07    -0.01   0.02  -0.05
     9   6     0.05   0.03   0.00    -0.03   0.01  -0.00     0.02  -0.01   0.01
    10   6     0.06   0.03   0.00     0.03  -0.00  -0.02    -0.01   0.00   0.01
    11   6     0.02   0.01  -0.00    -0.06  -0.02  -0.01    -0.08  -0.02  -0.02
    12   6    -0.00   0.02   0.01     0.01   0.00   0.00     0.01   0.02   0.01
    13   8    -0.00  -0.00  -0.01    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    14   8     0.00  -0.01   0.01    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    15   1     0.02  -0.03  -0.01    -0.15   0.03  -0.05     0.37  -0.10   0.15
    16   1     0.03   0.00  -0.03    -0.30  -0.04   0.22     0.23   0.03  -0.15
    17   1    -0.02   0.00  -0.01     0.30  -0.08   0.11    -0.29   0.08  -0.09
    18   1    -0.03  -0.03   0.01     0.11   0.02  -0.09    -0.36  -0.05   0.26
    19   1    -0.40  -0.26  -0.01     0.25   0.02   0.01    -0.02   0.04   0.00
    20   1    -0.43  -0.24  -0.09    -0.24  -0.04   0.05     0.01  -0.03  -0.02
    21   1     0.07   0.51   0.17    -0.06   0.19  -0.49     0.03  -0.10   0.25
    22   1    -0.05   0.06   0.12     0.06  -0.05  -0.05    -0.04   0.03   0.01
    23   1    -0.14  -0.06  -0.03     0.05  -0.02  -0.08    -0.03   0.01   0.05
    24   1    -0.02  -0.12  -0.13    -0.02  -0.01   0.06     0.01   0.01  -0.02
    25   1    -0.01  -0.18   0.02     0.03  -0.03   0.05    -0.02   0.01  -0.02
    26   1    -0.14  -0.08   0.00    -0.06   0.06  -0.04     0.04  -0.04   0.02
    27   1    -0.07   0.12  -0.04    -0.07   0.06   0.01     0.04  -0.03  -0.02
    28   1    -0.05  -0.07  -0.03     0.35   0.09   0.09     0.52   0.12   0.12
    29   6    -0.01  -0.00   0.01     0.02   0.01  -0.01     0.02   0.01  -0.02
    30   1    -0.02  -0.03  -0.09    -0.00   0.00   0.02    -0.01  -0.01  -0.02
    31   1    -0.01  -0.01  -0.03     0.02   0.01   0.02     0.04   0.02   0.07
    32   1     0.01  -0.01  -0.02    -0.03   0.01   0.04    -0.03   0.02   0.09
    33   1     0.02   0.01   0.02    -0.07  -0.02  -0.03    -0.06  -0.00  -0.04
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1375.3912              1388.1135              1392.4912
 Red. masses --      1.3962                 1.3599                 1.9815
 Frc consts  --      1.5562                 1.5439                 2.2638
 IR Inten    --      0.5239                10.5525                39.1550
 RamAct Fr= 1--      1.6326                 9.4937                 5.3494
  Dep-P Fr= 1--      0.7189                 0.3758                 0.7105
  Dep-U Fr= 1--      0.8365                 0.5463                 0.8308
 Alpha2 Fr= 1--      0.0009                 0.0765                 0.0037
 Beta2  Fr= 1--      0.2276                 0.8644                 0.7407
 AlphaG Fr= 1--      0.0123                -0.0182                -0.0164
 Gamma2 Fr= 1--      0.2889                -0.9373                 1.9231
 Delta2 Fr= 1--     -0.0925                -0.2257                -1.1389
 Raman1 Fr= 1--       6.531                 37.975                 21.398
 ROA1   Fr= 1--      24.770                -97.200                148.171
 CID1   Fr= 1--       3.793                 -2.560                  6.925
 Raman2 Fr= 1--       2.731                 10.372                  8.888
 ROA2   Fr= 1--       7.673                -20.689                 55.266
 CID2   Fr= 1--       2.809                 -1.995                  6.218
 Raman3 Fr= 1--       5.463                 20.745                 17.777
 ROA3   Fr= 1--      24.770                -97.200                148.171
 CID3   Fr= 1--       4.534                 -4.686                  8.335
 RC180  Fr= 1--       0.673                  0.093                  0.662
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00   0.00     0.02  -0.01   0.01     0.03  -0.01   0.01
     2   6     0.01  -0.02   0.05     0.04   0.01  -0.00    -0.01  -0.00   0.00
     3   6     0.04   0.00  -0.03    -0.01   0.00  -0.01    -0.01   0.00  -0.00
     4   6    -0.00   0.00  -0.01    -0.00   0.00  -0.00    -0.00   0.02  -0.01
     5   6    -0.05   0.01  -0.02    -0.01  -0.00   0.01     0.02  -0.00  -0.01
     6   6     0.01  -0.00   0.00     0.01   0.00  -0.01    -0.04  -0.00   0.02
     7   6     0.00  -0.00   0.01    -0.12  -0.03   0.00     0.02   0.01  -0.00
     8   6    -0.02   0.05  -0.14    -0.00  -0.10  -0.04     0.00   0.02   0.01
     9   6     0.04  -0.03  -0.00     0.02   0.01  -0.02    -0.00  -0.00   0.00
    10   6    -0.03   0.02   0.03     0.03  -0.01   0.02    -0.01   0.00  -0.01
    11   6     0.01   0.00   0.01     0.00  -0.02  -0.00     0.02  -0.17  -0.03
    12   6    -0.00  -0.00  -0.00    -0.00   0.02   0.01    -0.03   0.18   0.11
    13   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.02  -0.03
    14   8     0.00   0.00   0.00     0.00  -0.01  -0.00     0.01  -0.06  -0.01
    15   1    -0.14   0.04  -0.04    -0.06   0.02  -0.02    -0.11   0.03  -0.04
    16   1    -0.19  -0.02   0.14    -0.05   0.00   0.02    -0.01   0.01   0.00
    17   1     0.22  -0.06   0.08    -0.05   0.01  -0.00     0.02   0.02   0.00
    18   1     0.14   0.01  -0.09    -0.04   0.00   0.03     0.09   0.01  -0.08
    19   1     0.25   0.16   0.02     0.28   0.31   0.02    -0.03  -0.05  -0.00
    20   1    -0.25  -0.15  -0.03     0.30   0.27   0.13    -0.06  -0.04  -0.02
    21   1     0.08  -0.23   0.62     0.21   0.63   0.21    -0.03  -0.10  -0.04
    22   1    -0.13   0.07   0.12    -0.02  -0.02   0.16     0.00  -0.00  -0.02
    23   1    -0.07   0.07   0.18    -0.08   0.05   0.09     0.01  -0.00  -0.01
    24   1     0.06   0.07   0.02     0.03  -0.07   0.09    -0.00   0.01  -0.01
    25   1    -0.06  -0.07  -0.02     0.00   0.01  -0.11    -0.00  -0.02   0.03
    26   1     0.10  -0.17   0.07    -0.09   0.09  -0.02     0.02  -0.03   0.01
    27   1     0.15  -0.12   0.01    -0.05   0.09  -0.12     0.02  -0.03   0.04
    28   1    -0.09  -0.02  -0.02    -0.00   0.08   0.02    -0.06   0.73   0.18
    29   6    -0.00   0.00   0.01     0.00   0.01  -0.00     0.01   0.06  -0.02
    30   1     0.00   0.00   0.00    -0.01  -0.02  -0.05    -0.08  -0.16  -0.40
    31   1    -0.01  -0.01  -0.03     0.00  -0.02   0.01     0.03  -0.17   0.10
    32   1     0.00  -0.01  -0.03    -0.00   0.00  -0.00    -0.06   0.03   0.01
    33   1    -0.00  -0.01   0.00     0.00  -0.03  -0.01     0.02  -0.20  -0.08
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1405.4429              1416.1171              1425.0873
 Red. masses --      1.2778                 1.2210                 1.2483
 Frc consts  --      1.4871                 1.4426                 1.4937
 IR Inten    --      8.5200                10.7377                 8.3353
 RamAct Fr= 1--      1.0246                 1.0595                 1.2850
  Dep-P Fr= 1--      0.2857                 0.5244                 0.6372
  Dep-U Fr= 1--      0.4444                 0.6880                 0.7784
 Alpha2 Fr= 1--      0.0110                 0.0046                 0.0026
 Beta2  Fr= 1--      0.0759                 0.1215                 0.1667
 AlphaG Fr= 1--     -0.0123                -0.0005                 0.0030
 Gamma2 Fr= 1--     -0.0707                -0.1993                 0.5057
 Delta2 Fr= 1--      0.1941                 0.0980                 0.0923
 Raman1 Fr= 1--       4.098                  4.238                  5.140
 ROA1   Fr= 1--      -0.573                -16.001                 51.500
 CID1   Fr= 1--      -0.140                 -3.776                 10.020
 Raman2 Fr= 1--       0.911                  1.458                  2.000
 ROA2   Fr= 1--      -3.249                 -5.568                 11.398
 CID2   Fr= 1--      -3.568                 -3.819                  5.698
 Raman3 Fr= 1--       1.821                  2.916                  4.001
 ROA3   Fr= 1--      -0.573                -16.001                 51.500
 CID3   Fr= 1--      -0.315                 -5.487                 12.872
 RC180  Fr= 1--      -0.111                  0.376                  0.557
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.01  -0.00   0.00    -0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00  -0.00   0.01    -0.01  -0.00  -0.00
     3   6    -0.01   0.00   0.00    -0.00   0.00  -0.01     0.00  -0.00   0.00
     4   6     0.00  -0.00   0.01     0.01  -0.00   0.00     0.00  -0.00   0.00
     5   6     0.01  -0.00   0.00     0.01  -0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.01   0.00  -0.00    -0.00  -0.00   0.00
     7   6    -0.00   0.00  -0.01    -0.00   0.00  -0.00     0.04   0.01  -0.00
     8   6     0.01  -0.02   0.05    -0.00   0.00  -0.00    -0.00   0.03   0.01
     9   6    -0.00  -0.01  -0.10     0.00  -0.00   0.00     0.00  -0.03  -0.09
    10   6    -0.02   0.08  -0.07     0.00  -0.00   0.00     0.02  -0.08   0.05
    11   6    -0.00   0.00  -0.00     0.00  -0.01  -0.00    -0.00  -0.00  -0.00
    12   6     0.00  -0.00  -0.00    -0.00   0.02   0.02    -0.00   0.00   0.00
    13   8     0.00   0.00   0.00    -0.00   0.00  -0.01     0.00  -0.00  -0.00
    14   8    -0.00   0.00   0.00     0.00  -0.01  -0.00     0.00  -0.00  -0.00
    15   1     0.02  -0.00   0.00    -0.05   0.01  -0.02     0.01  -0.01   0.00
    16   1     0.03   0.01  -0.03    -0.04  -0.01   0.01     0.01   0.00  -0.00
    17   1    -0.04   0.01  -0.02    -0.01   0.00  -0.01     0.01  -0.00   0.00
    18   1    -0.02   0.00   0.01     0.02   0.01  -0.02     0.01  -0.00  -0.01
    19   1    -0.05  -0.05  -0.01     0.02   0.01   0.00    -0.12  -0.05  -0.02
    20   1     0.06   0.05   0.02    -0.02  -0.01   0.00    -0.12  -0.06   0.00
    21   1    -0.02   0.06  -0.15     0.00  -0.00   0.01    -0.05  -0.14  -0.04
    22   1    -0.09  -0.08   0.38    -0.00   0.00  -0.01    -0.16  -0.03   0.36
    23   1    -0.06   0.23   0.29     0.00  -0.01  -0.01    -0.06   0.22   0.30
    24   1     0.12   0.02   0.40    -0.00   0.00  -0.01     0.15   0.10   0.37
    25   1    -0.04  -0.28   0.30    -0.00   0.00  -0.01     0.08   0.33  -0.23
    26   1     0.10  -0.36   0.04    -0.00   0.01  -0.00    -0.10   0.36  -0.06
    27   1     0.17  -0.18   0.30    -0.00   0.00  -0.01    -0.23   0.20  -0.24
    28   1     0.03  -0.01   0.00    -0.02   0.05   0.01    -0.00   0.01   0.00
    29   6    -0.00  -0.00  -0.00    -0.06  -0.09  -0.08     0.00   0.00  -0.00
    30   1     0.00   0.00   0.01    -0.01  -0.02  -0.05    -0.00  -0.00  -0.00
    31   1     0.00   0.02   0.01     0.06   0.38   0.37     0.00  -0.00   0.00
    32   1     0.01   0.00   0.02     0.37   0.16   0.44    -0.00  -0.00   0.00
    33   1     0.01   0.02   0.00     0.31   0.47   0.12     0.00  -0.00  -0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1460.8896              1489.3062              1489.9087
 Red. masses --      2.4729                 1.0407                 1.0977
 Frc consts  --      3.1095                 1.3600                 1.4357
 IR Inten    --      9.1165                 2.6528                 3.3687
 RamAct Fr= 1--      0.3177                 7.9959                10.7767
  Dep-P Fr= 1--      0.5914                 0.7445                 0.7366
  Dep-U Fr= 1--      0.7433                 0.8535                 0.8483
 Alpha2 Fr= 1--      0.0009                 0.0007                 0.0025
 Beta2  Fr= 1--      0.0394                 1.1375                 1.5236
 AlphaG Fr= 1--      0.0159                -0.0087                -0.0012
 Gamma2 Fr= 1--     -0.1963                 0.1368                -0.3796
 Delta2 Fr= 1--     -0.4543                 0.1160                 0.2680
 Raman1 Fr= 1--       1.271                 31.984                 43.107
 ROA1   Fr= 1--     -33.379                 16.847                -27.861
 CID1   Fr= 1--     -26.268                  0.527                 -0.646
 Raman2 Fr= 1--       0.472                 13.649                 18.284
 ROA2   Fr= 1--      -1.076                  2.356                -11.253
 CID2   Fr= 1--      -2.278                  0.173                 -0.615
 Raman3 Fr= 1--       0.944                 27.299                 36.568
 ROA3   Fr= 1--     -33.379                 16.847                -27.861
 CID3   Fr= 1--     -35.342                  0.617                 -0.762
 RC180  Fr= 1--       0.487                  0.707                  0.697
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.13   0.00  -0.05    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6     0.02  -0.05   0.14    -0.00   0.00  -0.00    -0.01  -0.01  -0.00
     3   6    -0.14   0.02  -0.01     0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6     0.02  -0.05   0.14     0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6     0.14  -0.00  -0.05    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     6   6    -0.14   0.02  -0.01     0.00   0.00   0.00    -0.00   0.00   0.00
     7   6    -0.00   0.01  -0.04     0.00  -0.00   0.00     0.06  -0.05  -0.03
     8   6    -0.00   0.00  -0.01    -0.00   0.00  -0.01    -0.01   0.00   0.00
     9   6     0.00  -0.01   0.01    -0.04  -0.01   0.00    -0.01   0.01   0.00
    10   6     0.00   0.00   0.01     0.04   0.01  -0.00    -0.01   0.01   0.01
    11   6    -0.04   0.03  -0.03    -0.00  -0.00   0.00     0.00   0.00   0.00
    12   6     0.00  -0.02  -0.01     0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   8     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    14   8    -0.00   0.01   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    15   1    -0.29   0.12  -0.22     0.01   0.00   0.01     0.02  -0.00   0.01
    16   1     0.24   0.08  -0.30    -0.00  -0.00   0.00     0.00  -0.00   0.00
    17   1    -0.32   0.13  -0.23     0.00  -0.00   0.00     0.00  -0.00  -0.00
    18   1     0.22   0.08  -0.29    -0.01  -0.01   0.01     0.02   0.00  -0.01
    19   1     0.21   0.04   0.01    -0.00   0.00  -0.00    -0.34   0.50  -0.20
    20   1    -0.21  -0.05   0.03    -0.00   0.00  -0.00    -0.25   0.22   0.54
    21   1     0.00  -0.01   0.03     0.01  -0.03   0.06    -0.02  -0.04  -0.01
    22   1    -0.04   0.03   0.00     0.17  -0.23   0.25     0.16  -0.13   0.03
    23   1     0.03  -0.02  -0.03     0.46   0.19   0.04     0.09   0.08   0.06
    24   1     0.01   0.07  -0.02    -0.06   0.14  -0.28    -0.06  -0.11  -0.09
    25   1    -0.02  -0.04  -0.06    -0.01   0.09  -0.31    -0.05  -0.15   0.01
    26   1    -0.04   0.03  -0.00    -0.46  -0.20  -0.01     0.08   0.11  -0.01
    27   1     0.04  -0.02  -0.03    -0.10  -0.01   0.37     0.14  -0.07  -0.14
    28   1     0.35  -0.08   0.01     0.00   0.00   0.00    -0.00   0.00   0.00
    29   6     0.01   0.00   0.01    -0.00  -0.00   0.00     0.00  -0.00   0.00
    30   1     0.00   0.01   0.04     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    31   1    -0.00  -0.01  -0.07    -0.00   0.00  -0.00    -0.00   0.01  -0.00
    32   1    -0.03  -0.01   0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    33   1    -0.09   0.01  -0.01    -0.00  -0.00  -0.00    -0.01  -0.00  -0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1492.1871              1497.8501              1498.8889
 Red. masses --      1.0465                 1.0562                 1.0551
 Frc consts  --      1.3729                 1.3962                 1.3967
 IR Inten    --      4.7295                 0.2316                 8.4952
 RamAct Fr= 1--      5.4396                 2.8064                 4.4981
  Dep-P Fr= 1--      0.6229                 0.3301                 0.7139
  Dep-U Fr= 1--      0.7676                 0.4964                 0.8331
 Alpha2 Fr= 1--      0.0126                 0.0262                 0.0028
 Beta2  Fr= 1--      0.6959                 0.2322                 0.6246
 AlphaG Fr= 1--      0.0164                -0.0519                 0.0363
 Gamma2 Fr= 1--     -0.5984                -0.7807                 0.3822
 Delta2 Fr= 1--     -1.0854                 0.5485                 0.9036
 Raman1 Fr= 1--      21.759                 11.225                 17.993
 ROA1   Fr= 1--     -92.180                -57.397                 65.609
 CID1   Fr= 1--      -4.236                 -5.113                  3.646
 Raman2 Fr= 1--       8.351                  2.786                  7.495
 ROA2   Fr= 1--      -5.679                -23.125                  1.944
 CID2   Fr= 1--      -0.680                 -8.301                  0.259
 Raman3 Fr= 1--      16.703                  5.572                 14.990
 ROA3   Fr= 1--     -92.180                -57.397                 65.609
 CID3   Fr= 1--      -5.519                -10.301                  4.377
 RC180  Fr= 1--       0.535                 -0.007                  0.666
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.01   0.00   0.00    -0.00   0.00  -0.00
     2   6     0.01  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.01
     3   6    -0.01  -0.00   0.01     0.01  -0.00   0.00    -0.00   0.00  -0.00
     4   6     0.00   0.00  -0.00    -0.00   0.00  -0.01     0.00  -0.00   0.00
     5   6    -0.01   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     6   6     0.00  -0.00   0.00     0.01  -0.00  -0.00    -0.00   0.00  -0.00
     7   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     8   6    -0.00  -0.00  -0.00     0.00  -0.01   0.03    -0.00   0.00  -0.01
     9   6    -0.00   0.00  -0.00     0.00  -0.04   0.00    -0.00   0.01  -0.00
    10   6     0.00   0.00   0.00     0.00   0.03   0.03    -0.00  -0.00  -0.00
    11   6     0.02  -0.00  -0.01    -0.00   0.00   0.00    -0.01   0.03  -0.01
    12   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.01
    13   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.01
    14   8     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    15   1     0.02  -0.00   0.00     0.02  -0.00   0.01    -0.01   0.00  -0.01
    16   1     0.01   0.00  -0.01    -0.00  -0.01   0.01    -0.01  -0.01  -0.00
    17   1     0.03  -0.01   0.01     0.00  -0.00   0.01    -0.01   0.00  -0.01
    18   1     0.02   0.00  -0.01    -0.02  -0.01   0.01    -0.00   0.00  -0.01
    19   1    -0.00   0.00   0.00    -0.04  -0.03  -0.00     0.01   0.01  -0.00
    20   1    -0.00   0.00   0.00     0.04   0.03   0.00    -0.02  -0.00   0.01
    21   1     0.00   0.00   0.00    -0.01   0.03  -0.07     0.00  -0.00   0.01
    22   1     0.01  -0.00   0.00    -0.34   0.21   0.09     0.06  -0.04  -0.01
    23   1     0.00   0.00   0.00     0.14  -0.12  -0.21    -0.02   0.02   0.03
    24   1    -0.00  -0.00  -0.00     0.13   0.46   0.00    -0.02  -0.07  -0.00
    25   1    -0.00  -0.00  -0.00    -0.16  -0.36  -0.28     0.03   0.06   0.05
    26   1    -0.00   0.00  -0.00    -0.17   0.22  -0.04     0.03  -0.04   0.01
    27   1     0.00  -0.00  -0.00     0.34  -0.19  -0.14    -0.05   0.03   0.02
    28   1    -0.06  -0.02  -0.04    -0.01  -0.01  -0.01     0.02  -0.09  -0.03
    29   6     0.04   0.00  -0.03    -0.00   0.01  -0.00    -0.02   0.03  -0.02
    30   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.01   0.02
    31   1    -0.02  -0.47  -0.10     0.01  -0.06   0.09     0.08  -0.33   0.56
    32   1    -0.47  -0.07   0.52    -0.05  -0.02  -0.03    -0.32  -0.11  -0.20
    33   1    -0.16   0.49   0.07     0.10  -0.02   0.01     0.61  -0.12   0.05
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1508.7614              1512.7155              1551.9124
 Red. masses --      1.0507                 1.0555                 2.4269
 Frc consts  --      1.4092                 1.4231                 3.4438
 IR Inten    --     11.7928                10.7917                22.8198
 RamAct Fr= 1--      0.8398                 2.4918                 0.2273
  Dep-P Fr= 1--      0.7306                 0.7421                 0.6932
  Dep-U Fr= 1--      0.8443                 0.8520                 0.8188
 Alpha2 Fr= 1--      0.0003                 0.0003                 0.0002
 Beta2  Fr= 1--      0.1182                 0.3538                 0.0310
 AlphaG Fr= 1--      0.0021                 0.0018                 0.0011
 Gamma2 Fr= 1--      0.4250                 0.7769                 0.2953
 Delta2 Fr= 1--      0.0309                 0.2834                 0.1529
 Raman1 Fr= 1--       3.359                  9.967                  0.909
 ROA1   Fr= 1--      41.791                 83.655                 33.239
 CID1   Fr= 1--      12.441                  8.393                 36.550
 Raman2 Fr= 1--       1.418                  4.246                  0.372
 ROA2   Fr= 1--       9.954                 16.380                  5.863
 CID2   Fr= 1--       7.019                  3.858                 15.748
 Raman3 Fr= 1--       2.836                  8.492                  0.745
 ROA3   Fr= 1--      41.791                 83.655                 33.239
 CID3   Fr= 1--      14.734                  9.851                 44.640
 RC180  Fr= 1--       0.689                  0.704                  0.638
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.10   0.04  -0.08
     2   6    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00     0.16  -0.01  -0.02
     3   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.09  -0.03   0.11
     4   6    -0.01   0.00   0.00    -0.00   0.00   0.00     0.15  -0.01  -0.02
     5   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.10   0.04  -0.08
     6   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.08  -0.03   0.10
     7   6     0.02  -0.02  -0.01     0.01  -0.00  -0.00    -0.03   0.00   0.00
     8   6     0.03  -0.01  -0.01    -0.02  -0.04  -0.01    -0.00  -0.01  -0.00
     9   6     0.03  -0.01   0.01    -0.01  -0.03   0.01     0.00  -0.00   0.00
    10   6     0.02   0.00  -0.02    -0.02  -0.01  -0.03     0.00   0.00  -0.00
    11   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.03  -0.00   0.01
    12   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.01   0.01
    13   8     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    14   8     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    15   1    -0.00   0.00   0.00    -0.01  -0.00  -0.01     0.44  -0.09   0.10
    16   1    -0.01  -0.00   0.01    -0.01   0.00   0.00     0.42   0.03  -0.25
    17   1    -0.01   0.00  -0.00    -0.01   0.00  -0.00     0.42  -0.09   0.10
    18   1    -0.00   0.00   0.00    -0.01  -0.01   0.00     0.39   0.03  -0.22
    19   1    -0.12   0.23  -0.08    -0.03   0.07  -0.02    -0.04   0.03  -0.00
    20   1    -0.08   0.11   0.23    -0.02   0.03   0.07    -0.04   0.01   0.03
    21   1     0.02  -0.05  -0.02     0.02   0.07   0.03     0.01   0.05   0.02
    22   1    -0.29   0.29  -0.18    -0.19   0.06   0.22    -0.02   0.02   0.01
    23   1    -0.29  -0.23  -0.15     0.36  -0.02  -0.18    -0.00  -0.01  -0.02
    24   1     0.10   0.12   0.22     0.06   0.45  -0.18     0.01   0.02   0.00
    25   1     0.06   0.23  -0.10     0.13   0.23   0.41     0.01   0.02   0.01
    26   1    -0.27  -0.29   0.02     0.38  -0.10   0.04    -0.00  -0.02   0.00
    27   1    -0.22   0.07   0.38    -0.23   0.18  -0.08    -0.02   0.01   0.01
    28   1     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.04   0.02   0.01
    29   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.01  -0.00   0.00
    30   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    31   1    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00     0.00   0.06   0.03
    32   1    -0.01  -0.00   0.00    -0.00   0.00   0.00     0.05   0.01  -0.04
    33   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.02  -0.04  -0.01
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1617.5510              1658.1575              1805.9216
 Red. masses --      5.9930                 5.7764                 9.5445
 Frc consts  --      9.2387                 9.3574                18.3401
 IR Inten    --      0.1196                 0.8116               271.8030
 RamAct Fr= 1--      2.4811               117.9755                16.4269
  Dep-P Fr= 1--      0.6658                 0.4788                 0.1732
  Dep-U Fr= 1--      0.7994                 0.6475                 0.2953
 Alpha2 Fr= 1--      0.0037                 0.6412                 0.2393
 Beta2  Fr= 1--      0.3306                12.7317                 0.8085
 AlphaG Fr= 1--     -0.0547                -0.4635                -0.5289
 Gamma2 Fr= 1--      0.1159                -5.7916                -2.4254
 Delta2 Fr= 1--     -0.2239                -0.3622                 0.8715
 Raman1 Fr= 1--       9.924                471.902                 65.708
 ROA1   Fr= 1--       3.966               -567.580               -204.948
 CID1   Fr= 1--       0.400                 -1.203                 -3.119
 Raman2 Fr= 1--       3.967                152.781                  9.702
 ROA2   Fr= 1--       4.574               -136.100                -65.181
 CID2   Fr= 1--       1.153                 -0.891                 -6.718
 Raman3 Fr= 1--       7.933                305.561                 19.404
 ROA3   Fr= 1--       3.966               -567.580               -204.948
 CID3   Fr= 1--       0.500                 -1.857                -10.562
 RC180  Fr= 1--       0.599                  0.295                 -0.409
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11  -0.08   0.17     0.30  -0.05   0.03    -0.01   0.00  -0.00
     2   6    -0.03   0.12  -0.32    -0.21   0.02   0.03     0.00  -0.00   0.00
     3   6     0.07   0.06  -0.20    -0.27  -0.00   0.11     0.01  -0.00   0.00
     4   6     0.05  -0.12   0.32     0.19  -0.02  -0.02    -0.02   0.00  -0.00
     5   6    -0.12   0.08  -0.18    -0.28   0.05  -0.03     0.01  -0.00   0.00
     6   6    -0.08  -0.07   0.21     0.27   0.01  -0.11    -0.01   0.00   0.00
     7   6     0.00  -0.01   0.04     0.03  -0.01  -0.01    -0.00   0.00  -0.00
     8   6     0.00  -0.00   0.01     0.00   0.01   0.00    -0.00  -0.00  -0.00
     9   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    10   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    11   6    -0.02   0.02  -0.04    -0.02  -0.00   0.00    -0.01   0.04  -0.04
    12   6    -0.00  -0.01   0.00     0.00   0.00   0.02     0.25  -0.33   0.58
    13   8    -0.00   0.00  -0.00    -0.00   0.00  -0.01    -0.16   0.18  -0.38
    14   8     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.02   0.02  -0.05
    15   1    -0.29   0.03   0.04    -0.31   0.11  -0.19     0.02  -0.00   0.00
    16   1    -0.30   0.02   0.05     0.26   0.07  -0.29     0.02  -0.02  -0.01
    17   1     0.31  -0.03  -0.04     0.29  -0.11   0.17    -0.02   0.01  -0.01
    18   1     0.31  -0.02  -0.06    -0.25  -0.07   0.27     0.00   0.00  -0.01
    19   1    -0.21  -0.02  -0.01     0.02   0.01  -0.01     0.00  -0.00   0.00
    20   1     0.20   0.04  -0.03     0.02   0.00   0.01    -0.00   0.00  -0.00
    21   1    -0.00   0.01  -0.01    -0.01  -0.04  -0.01     0.00   0.00   0.00
    22   1    -0.02   0.01  -0.00     0.01  -0.00  -0.01     0.00  -0.00   0.00
    23   1    -0.01  -0.01  -0.01    -0.00   0.00   0.01    -0.00  -0.00  -0.00
    24   1     0.01   0.01   0.01    -0.00  -0.01   0.00    -0.00  -0.00   0.00
    25   1    -0.00  -0.01  -0.00    -0.00  -0.01  -0.01    -0.00  -0.00   0.00
    26   1     0.01   0.02  -0.00    -0.00   0.01  -0.00     0.00  -0.00   0.00
    27   1     0.01  -0.01  -0.01     0.01  -0.01   0.00    -0.00  -0.00  -0.00
    28   1     0.28  -0.05   0.01    -0.02   0.01   0.00    -0.10   0.21   0.00
    29   6    -0.00   0.00   0.00    -0.01  -0.00  -0.00     0.01   0.00   0.01
    30   1     0.00   0.01   0.01     0.00   0.00   0.01     0.10   0.16   0.43
    31   1     0.00  -0.02   0.02     0.00   0.02   0.02     0.02  -0.04   0.01
    32   1    -0.02  -0.00  -0.00     0.02   0.00  -0.00    -0.06  -0.04  -0.09
    33   1     0.02   0.02   0.01     0.02  -0.00  -0.00     0.02  -0.06   0.01
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3002.7917              3025.9174              3027.4211
 Red. masses --      1.0816                 1.0346                 1.0481
 Frc consts  --      5.7461                 5.5812                 5.6600
 IR Inten    --     21.6556                34.6655                41.7976
 RamAct Fr= 1--    127.7276                14.3626                51.9893
  Dep-P Fr= 1--      0.4535                 0.6253                 0.5569
  Dep-U Fr= 1--      0.6240                 0.7694                 0.7154
 Alpha2 Fr= 1--      0.7719                 0.0327                 0.1911
 Beta2  Fr= 1--     13.2847                 1.8419                 6.1988
 AlphaG Fr= 1--      0.0016                -0.0047                -0.0666
 Gamma2 Fr= 1--      0.8713                -0.4747                 1.3572
 Delta2 Fr= 1--     -0.9101                 1.1536                -0.4445
 Raman1 Fr= 1--     510.910                 57.450                207.957
 ROA1   Fr= 1--      54.524                 -8.661                116.065
 CID1   Fr= 1--       0.107                 -0.151                  0.558
 Raman2 Fr= 1--     159.416                 22.102                 74.386
 ROA2   Fr= 1--      28.192                -20.623                 36.128
 CID2   Fr= 1--       0.177                 -0.933                  0.486
 Raman3 Fr= 1--     318.833                 44.205                148.771
 ROA3   Fr= 1--      54.524                 -8.661                116.065
 CID3   Fr= 1--       0.171                 -0.196                  0.780
 RC180  Fr= 1--       0.248                  0.539                  0.431
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     4   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   6     0.01  -0.01  -0.01    -0.00   0.00   0.00     0.02  -0.04  -0.02
     8   6    -0.08   0.02   0.02    -0.00   0.00  -0.00     0.01  -0.00  -0.00
     9   6     0.01  -0.00   0.00     0.00   0.00   0.04    -0.00  -0.00  -0.02
    10   6     0.01   0.00  -0.00     0.01  -0.02   0.02     0.00  -0.02   0.02
    11   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    12   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    13   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    14   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    15   1     0.00   0.00  -0.00    -0.00  -0.00   0.01     0.00   0.00  -0.00
    16   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    17   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    18   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    19   1    -0.03   0.03   0.18     0.01  -0.01  -0.03    -0.09   0.09   0.47
    20   1    -0.07   0.14  -0.10     0.02  -0.04   0.03    -0.17   0.37  -0.27
    21   1     0.91  -0.20  -0.19     0.01  -0.00  -0.00    -0.15   0.03   0.03
    22   1    -0.03  -0.04  -0.01    -0.26  -0.34  -0.09     0.14   0.18   0.05
    23   1    -0.01   0.04  -0.03    -0.14   0.38  -0.26     0.08  -0.22   0.15
    24   1    -0.08   0.02   0.02     0.39  -0.10  -0.09    -0.18   0.05   0.04
    25   1    -0.08   0.02   0.01    -0.33   0.09   0.07    -0.26   0.07   0.05
    26   1    -0.00   0.01   0.05     0.04  -0.09  -0.38     0.04  -0.08  -0.37
    27   1    -0.03  -0.04  -0.02     0.21   0.28   0.09     0.19   0.25   0.08
    28   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    29   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    30   1     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    31   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    32   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    33   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3032.9260              3047.3602              3063.7286
 Red. masses --      1.0480                 1.0356                 1.1040
 Frc consts  --      5.6801                 5.6660                 6.1052
 IR Inten    --     18.8853                25.6057                18.0449
 RamAct Fr= 1--    519.0110               217.4219                51.4248
  Dep-P Fr= 1--      0.0105                 0.0606                 0.7500
  Dep-U Fr= 1--      0.0208                 0.1143                 0.8571
 Alpha2 Fr= 1--     11.2531                 4.1874                 0.0000
 Beta2  Fr= 1--      1.8032                 4.1410                 7.3464
 AlphaG Fr= 1--      0.3124                -0.2854                -0.0031
 Gamma2 Fr= 1--      1.1697                 0.8131                 0.7676
 Delta2 Fr= 1--     -0.2524                 3.3759                 1.1462
 Raman1 Fr= 1--    2076.044                869.688                205.699
 ROA1   Fr= 1--     104.217                186.084                110.368
 CID1   Fr= 1--       0.050                  0.214                  0.537
 Raman2 Fr= 1--      21.638                 49.692                 88.156
 ROA2   Fr= 1--      30.092                 -7.493                  9.252
 CID2   Fr= 1--       1.391                 -0.151                  0.105
 Raman3 Fr= 1--      43.276                 99.385                176.313
 ROA3   Fr= 1--     104.217                186.084                110.368
 CID3   Fr= 1--       2.408                  1.872                  0.626
 RC180  Fr= 1--      -0.958                 -0.771                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     4   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6     0.02  -0.04  -0.02     0.00  -0.00  -0.00    -0.01   0.03  -0.09
     8   6     0.01  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     9   6    -0.00   0.00   0.02    -0.00  -0.00   0.00     0.00  -0.01   0.00
    10   6    -0.01   0.02  -0.02    -0.00   0.00  -0.00    -0.00   0.00   0.01
    11   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    12   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    13   8     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    15   1     0.01   0.00  -0.01     0.00   0.00  -0.00     0.01   0.00  -0.01
    16   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    17   1     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    18   1     0.01  -0.01   0.01     0.00  -0.00   0.00    -0.01   0.01  -0.01
    19   1    -0.08   0.08   0.45    -0.00   0.00   0.00    -0.13   0.14   0.68
    20   1    -0.17   0.36  -0.26    -0.00   0.00  -0.00     0.25  -0.54   0.37
    21   1    -0.18   0.04   0.04    -0.00   0.00   0.00    -0.00  -0.00   0.00
    22   1    -0.16  -0.20  -0.06    -0.00  -0.00  -0.00     0.03   0.03   0.01
    23   1    -0.08   0.23  -0.16    -0.00   0.00  -0.00    -0.01   0.04  -0.03
    24   1     0.28  -0.07  -0.07     0.00  -0.00  -0.00    -0.03   0.01   0.01
    25   1     0.30  -0.08  -0.06     0.00  -0.00  -0.00     0.03  -0.01  -0.00
    26   1    -0.03   0.07   0.31    -0.00   0.00   0.00     0.00  -0.01  -0.05
    27   1    -0.17  -0.22  -0.06    -0.00  -0.00  -0.00    -0.03  -0.03  -0.01
    28   1    -0.00  -0.00   0.00    -0.01  -0.01   0.04    -0.00  -0.00   0.00
    29   6     0.00   0.00   0.00    -0.03  -0.03  -0.02    -0.00  -0.00  -0.00
    30   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    31   1    -0.01   0.00   0.00     0.66  -0.05  -0.14     0.00  -0.00  -0.00
    32   1     0.00  -0.00   0.00    -0.19   0.54  -0.09    -0.00   0.00  -0.00
    33   1     0.00   0.00  -0.00    -0.07  -0.11   0.44    -0.00  -0.00   0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3070.4542              3085.7601              3088.3106
 Red. masses --      1.0840                 1.1020                 1.1008
 Frc consts  --      6.0212                 6.1823                 6.1860
 IR Inten    --      6.7738                15.1656                50.6078
 RamAct Fr= 1--     64.9185                36.3362               126.4677
  Dep-P Fr= 1--      0.1889                 0.7489                 0.6948
  Dep-U Fr= 1--      0.3177                 0.8564                 0.8199
 Alpha2 Fr= 1--      0.9079                 0.0007                 0.1221
 Beta2  Fr= 1--      3.4376                 5.1864                17.2819
 AlphaG Fr= 1--      0.0321                 0.0573                -0.0994
 Gamma2 Fr= 1--     -0.8146                -0.2690                -3.8756
 Delta2 Fr= 1--     -3.3714                 1.0169                -4.3978
 Raman1 Fr= 1--     259.674                145.345                505.871
 ROA1   Fr= 1--    -186.082                  6.720               -512.783
 CID1   Fr= 1--      -0.717                  0.046                 -1.014
 Raman2 Fr= 1--      41.252                 62.237                207.383
 ROA2   Fr= 1--       7.421                -14.591                -57.831
 CID2   Fr= 1--       0.180                 -0.234                 -0.279
 Raman3 Fr= 1--      82.503                124.474                414.766
 ROA3   Fr= 1--    -186.082                  6.720               -512.783
 CID3   Fr= 1--      -2.255                  0.054                 -1.236
 RC180  Fr= 1--      -0.365                  0.713                  0.640
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     5   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     7   6    -0.00   0.00   0.00    -0.00   0.00  -0.01     0.00  -0.00  -0.00
     8   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     9   6     0.00   0.00  -0.00     0.01   0.07  -0.01     0.00  -0.06   0.01
    10   6     0.00   0.00   0.00    -0.02  -0.04  -0.04    -0.01  -0.04  -0.05
    11   6     0.01   0.02  -0.08     0.00   0.00  -0.00     0.00   0.00  -0.00
    12   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    13   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    14   8    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    15   1    -0.00  -0.00   0.00     0.01   0.00  -0.01     0.00   0.00  -0.01
    16   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    17   1     0.01   0.01  -0.02    -0.00  -0.00   0.00     0.00   0.00  -0.00
    18   1     0.00  -0.00   0.00    -0.01   0.00  -0.01     0.00  -0.00   0.00
    19   1     0.00  -0.00  -0.00    -0.01   0.01   0.06    -0.00   0.01   0.02
    20   1     0.00  -0.00   0.00     0.02  -0.05   0.03    -0.00   0.01  -0.01
    21   1     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.03   0.01   0.01
    22   1     0.00   0.00   0.00    -0.32  -0.41  -0.12     0.26   0.32   0.10
    23   1     0.00  -0.00   0.00     0.15  -0.41   0.29    -0.14   0.37  -0.27
    24   1    -0.00   0.00   0.00     0.06   0.00  -0.02    -0.14   0.02   0.04
    25   1    -0.00   0.00   0.00    -0.03  -0.00  -0.00    -0.10   0.02   0.00
    26   1     0.00  -0.00  -0.00    -0.05   0.08   0.44    -0.06   0.10   0.52
    27   1    -0.00  -0.00  -0.00     0.28   0.36   0.10     0.31   0.40   0.11
    28   1    -0.17  -0.22   0.94    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    29   6    -0.00  -0.00   0.01    -0.00  -0.00   0.00    -0.00   0.00   0.00
    30   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    31   1     0.04  -0.01  -0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    32   1    -0.01   0.01  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    33   1     0.03   0.04  -0.15     0.00   0.00  -0.00     0.00   0.00  -0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3091.7159              3096.8921              3111.0142
 Red. masses --      1.1017                 1.1008                 1.1023
 Frc consts  --      6.2046                 6.2203                 6.2857
 IR Inten    --      7.4794                76.2276                26.7324
 RamAct Fr= 1--     11.8008                58.4041               100.4501
  Dep-P Fr= 1--      0.7487                 0.4797                 0.6862
  Dep-U Fr= 1--      0.8563                 0.6484                 0.8139
 Alpha2 Fr= 1--      0.0003                 0.3161                 0.1126
 Beta2  Fr= 1--      1.6842                 6.3111                13.6264
 AlphaG Fr= 1--      0.0184                -0.0457                 0.0762
 Gamma2 Fr= 1--     -0.5613                 2.0148                 0.9152
 Delta2 Fr= 1--     -1.4312                 2.5688                -4.5009
 Raman1 Fr= 1--      47.203                233.616                401.800
 ROA1   Fr= 1--     -99.686                275.628                -56.172
 CID1   Fr= 1--      -2.112                  1.180                 -0.140
 Raman2 Fr= 1--      20.210                 75.734                163.517
 ROA2   Fr= 1--      -2.023                 27.806                 57.971
 CID2   Fr= 1--      -0.100                  0.367                  0.355
 Raman3 Fr= 1--      40.421                151.467                327.033
 ROA3   Fr= 1--     -99.686                275.628                -56.172
 CID3   Fr= 1--      -2.466                  1.820                 -0.172
 RC180  Fr= 1--       0.713                  0.297                  0.628
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     5   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     8   6    -0.00   0.00  -0.00    -0.01   0.00   0.00     0.00  -0.00  -0.00
     9   6    -0.07   0.01  -0.00    -0.06   0.00  -0.00     0.00   0.00   0.00
    10   6     0.06  -0.00  -0.02    -0.06  -0.01   0.02     0.00   0.00   0.00
    11   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    13   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    14   8     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    15   1    -0.00  -0.00   0.01     0.00   0.00  -0.01     0.00   0.00  -0.00
    16   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    17   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    18   1     0.00  -0.00   0.01     0.00  -0.00   0.01    -0.00   0.00  -0.00
    19   1    -0.00   0.01   0.03     0.00  -0.00  -0.02    -0.00   0.00   0.00
    20   1     0.01  -0.02   0.02     0.01  -0.01   0.01    -0.00   0.00  -0.00
    21   1     0.01  -0.00  -0.00     0.16  -0.04  -0.03    -0.00   0.00   0.00
    22   1     0.18   0.26   0.07     0.19   0.27   0.08    -0.00  -0.00  -0.00
    23   1     0.05  -0.19   0.13     0.04  -0.14   0.09     0.00   0.00  -0.00
    24   1     0.58  -0.15  -0.15     0.51  -0.13  -0.14    -0.00   0.00   0.00
    25   1    -0.54   0.15   0.10     0.57  -0.16  -0.10    -0.00   0.00   0.00
    26   1    -0.01   0.05   0.25     0.01  -0.04  -0.19     0.00   0.00  -0.00
    27   1    -0.14  -0.20  -0.06     0.20   0.28   0.09    -0.00  -0.00  -0.00
    28   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.01   0.01  -0.05
    29   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.08   0.05   0.02
    30   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    31   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.69  -0.03  -0.14
    32   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.20  -0.63   0.12
    33   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.01   0.06  -0.19
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3129.9190              3161.7150              3167.3220
 Red. masses --      1.1014                 1.0868                 1.0871
 Frc consts  --      6.3569                 6.4007                 6.4257
 IR Inten    --     12.6711                11.0810                 8.4638
 RamAct Fr= 1--     26.8831                47.5837                50.2182
  Dep-P Fr= 1--      0.6808                 0.7247                 0.6448
  Dep-U Fr= 1--      0.8101                 0.8404                 0.7840
 Alpha2 Fr= 1--      0.0328                 0.0207                 0.0952
 Beta2  Fr= 1--      3.6296                 6.6645                 6.5621
 AlphaG Fr= 1--      0.0659                -0.0401                -0.1078
 Gamma2 Fr= 1--     -1.5082                 1.2624                -2.4635
 Delta2 Fr= 1--      2.0696                -0.0830                 1.2650
 Raman1 Fr= 1--     107.533                190.335                200.873
 ROA1   Fr= 1--     -78.563                118.538               -196.019
 CID1   Fr= 1--      -0.731                  0.623                 -0.976
 Raman2 Fr= 1--      43.555                 79.974                 78.745
 ROA2   Fr= 1--     -52.755                 30.962                -69.245
 CID2   Fr= 1--      -1.211                  0.387                 -0.879
 Raman3 Fr= 1--      87.111                159.948                157.490
 ROA3   Fr= 1--     -78.563                118.538               -196.019
 CID3   Fr= 1--      -0.902                  0.741                 -1.245
 RC180  Fr= 1--       0.620                  0.681                  0.568
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.03   0.02  -0.06
     2   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.02  -0.02   0.03
     4   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00   0.00     0.02   0.02  -0.06    -0.00  -0.00   0.00
     6   6    -0.00   0.00  -0.00     0.03  -0.02   0.04    -0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     8   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     9   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    10   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    11   6     0.00   0.00  -0.01     0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    13   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    14   8     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    15   1    -0.00  -0.00   0.01    -0.02  -0.01   0.04    -0.33  -0.22   0.75
    16   1    -0.02   0.01  -0.03    -0.02   0.01  -0.03    -0.30   0.18  -0.38
    17   1     0.01   0.01  -0.02    -0.30  -0.21   0.68     0.01   0.00  -0.02
    18   1     0.00  -0.00   0.00    -0.36   0.22  -0.46     0.05  -0.03   0.06
    19   1    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.01   0.00   0.02
    20   1     0.00  -0.00   0.00    -0.01   0.01  -0.01     0.00  -0.00   0.00
    21   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    22   1     0.00   0.00   0.00     0.00   0.01   0.00    -0.00  -0.00  -0.00
    23   1     0.00  -0.00   0.00    -0.00   0.01  -0.00     0.00  -0.00   0.00
    24   1     0.00  -0.00  -0.00     0.01  -0.00  -0.00    -0.00   0.00   0.00
    25   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.01  -0.00  -0.00
    26   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.01
    27   1     0.00   0.00   0.00     0.00   0.00   0.00     0.01   0.01   0.00
    28   1    -0.02  -0.03   0.15    -0.01  -0.01   0.02     0.00   0.00  -0.00
    29   6     0.01   0.05  -0.08     0.00   0.00  -0.00    -0.00  -0.00   0.00
    30   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    31   1    -0.19   0.02   0.02    -0.00   0.00   0.00     0.01  -0.00  -0.00
    32   1     0.15  -0.42   0.06     0.00  -0.00   0.00    -0.00   0.01  -0.00
    33   1    -0.13  -0.19   0.82    -0.00  -0.00   0.01     0.00   0.01  -0.03
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3178.7823              3185.4868              3723.6485
 Red. masses --      1.0936                 1.0937                 1.0639
 Frc consts  --      6.5106                 6.5389                 8.6917
 IR Inten    --     18.1419                 3.4109                62.4765
 RamAct Fr= 1--     94.3640               135.7748               119.7998
  Dep-P Fr= 1--      0.1386                 0.1223                 0.2440
  Dep-U Fr= 1--      0.2435                 0.2180                 0.3923
 Alpha2 Fr= 1--      1.5014                 2.2498                 1.4438
 Beta2  Fr= 1--      3.8289                 4.9335                 7.8324
 AlphaG Fr= 1--      0.4726                -0.4979                -0.3784
 Gamma2 Fr= 1--      3.7760                -0.5404                -5.8283
 Delta2 Fr= 1--      0.7983                -0.7471                -0.0003
 Raman1 Fr= 1--     377.456                543.099                479.199
 ROA1   Fr= 1--     388.039                -75.789               -559.525
 CID1   Fr= 1--       1.028                 -0.140                 -1.168
 Raman2 Fr= 1--      45.947                 59.202                 93.989
 ROA2   Fr= 1--      84.237                 -6.993               -139.877
 CID2   Fr= 1--       1.833                 -0.118                 -1.488
 Raman3 Fr= 1--      91.894                118.403                187.977
 ROA3   Fr= 1--     388.039                -75.789               -559.525
 CID3   Fr= 1--       4.223                 -0.640                 -2.977
 RC180  Fr= 1--      -0.513                 -0.564                 -0.215
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.02   0.01  -0.04     0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.01   0.01  -0.01    -0.04   0.03  -0.05     0.00   0.00   0.00
     4   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     5   6     0.02   0.01  -0.05    -0.00  -0.00   0.01     0.00   0.00   0.00
     6   6    -0.04   0.02  -0.05     0.01  -0.00   0.01    -0.00  -0.00   0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     9   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    10   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    11   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    12   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    13   8    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    14   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.02  -0.06   0.01
    15   1    -0.02  -0.01   0.05    -0.20  -0.14   0.46    -0.00  -0.00   0.00
    16   1     0.10  -0.06   0.13     0.48  -0.29   0.61     0.00   0.00  -0.00
    17   1    -0.25  -0.17   0.55     0.04   0.03  -0.09     0.00   0.00  -0.00
    18   1     0.44  -0.27   0.55    -0.08   0.05  -0.10    -0.00   0.00  -0.00
    19   1     0.00  -0.00   0.00    -0.00   0.00   0.01    -0.00   0.00   0.00
    20   1     0.01  -0.01   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    21   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    22   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    23   1     0.00  -0.01   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    24   1    -0.01   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    25   1     0.00  -0.00  -0.00     0.01  -0.00  -0.00    -0.00   0.00   0.00
    26   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    27   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    28   1    -0.00  -0.00   0.01     0.00   0.00  -0.00    -0.00   0.00   0.00
    29   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    30   1     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.25   0.94  -0.22
    31   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    32   1     0.00  -0.00   0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00
    33   1    -0.00  -0.00   0.01    -0.00  -0.01   0.02    -0.00  -0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  8 and mass  15.99491
 Atom    14 has atomic number  8 and mass  15.99491
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Molecular mass:   206.13068 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1525.328776240.173296479.96984
           X            0.99977   0.02139   0.00198
           Y           -0.02134   0.99956  -0.02054
           Z           -0.00242   0.02049   0.99979
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.05678     0.01388     0.01337
 Rotational constants (GHZ):           1.18318     0.28921     0.27851
 Zero-point vibrational energy     747039.7 (Joules/Mol)
                                  178.54677 (Kcal/Mol)
 Warning -- explicit consideration of  22 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     35.48    53.94    69.11    83.01   130.92
          (Kelvin)            164.09   225.10   288.66   322.11   356.53
                              369.81   387.20   405.64   493.15   507.58
                              560.85   585.21   604.84   613.86   683.65
                              808.32   826.72   901.69   926.14   958.21
                             1018.95  1092.44  1130.24  1184.04  1197.46
                             1231.73  1234.10  1251.71  1295.97  1356.42
                             1379.47  1395.71  1401.09  1413.01  1460.01
                             1506.19  1559.36  1575.43  1587.85  1597.86
                             1649.17  1671.51  1731.09  1745.71  1760.45
                             1779.24  1790.79  1842.60  1884.34  1884.64
                             1941.94  1965.83  1978.88  1997.19  2003.48
                             2022.12  2037.48  2050.38  2101.89  2142.78
                             2143.65  2146.92  2155.07  2156.57  2170.77
                             2176.46  2232.86  2327.30  2385.72  2598.32
                             4320.35  4353.62  4355.78  4363.70  4384.47
                             4408.02  4417.70  4439.72  4443.39  4448.29
                             4455.74  4476.06  4503.26  4549.00  4557.07
                             4573.56  4583.21  5357.50
 
 Zero-point correction=                           0.284532 (Hartree/Particle)
 Thermal correction to Energy=                    0.300060
 Thermal correction to Enthalpy=                  0.301004
 Thermal correction to Gibbs Free Energy=         0.240320
 Sum of electronic and zero-point Energies=           -656.739078
 Sum of electronic and thermal Energies=              -656.723551
 Sum of electronic and thermal Enthalpies=            -656.722607
 Sum of electronic and thermal Free Energies=         -656.783291
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  188.290             58.557            127.720
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.874
 Rotational               0.889              2.981             32.489
 Vibrational            186.513             52.596             53.357
 Vibration     1          0.593              1.985              6.218
 Vibration     2          0.594              1.982              5.388
 Vibration     3          0.595              1.978              4.897
 Vibration     4          0.596              1.974              4.534
 Vibration     5          0.602              1.956              3.639
 Vibration     6          0.607              1.938              3.199
 Vibration     7          0.620              1.895              2.592
 Vibration     8          0.638              1.839              2.127
 Vibration     9          0.649              1.805              1.927
 Vibration    10          0.661              1.766              1.746
 Vibration    11          0.667              1.751              1.682
 Vibration    12          0.674              1.730              1.602
 Vibration    13          0.681              1.707              1.522
 Vibration    14          0.722              1.590              1.199
 Vibration    15          0.729              1.570              1.154
 Vibration    16          0.758              1.492              1.001
 Vibration    17          0.772              1.456              0.938
 Vibration    18          0.783              1.426              0.891
 Vibration    19          0.788              1.412              0.870
 Vibration    20          0.832              1.305              0.723
 Vibration    21          0.918              1.114              0.520
 Vibration    22          0.931              1.086              0.495
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.288683-110       -110.539579       -254.526787
 Total V=0       0.216829D+21         20.336117         46.825640
 Vib (Bot)       0.882757-125       -125.054159       -287.947842
 Vib (Bot)    1  0.839749D+01          0.924149          2.127933
 Vib (Bot)    2  0.551996D+01          0.741936          1.708371
 Vib (Bot)    3  0.430461D+01          0.633934          1.459686
 Vib (Bot)    4  0.357998D+01          0.553881          1.275357
 Vib (Bot)    5  0.225915D+01          0.353945          0.814989
 Vib (Bot)    6  0.179428D+01          0.253889          0.584601
 Vib (Bot)    7  0.129357D+01          0.111791          0.257409
 Vib (Bot)    8  0.993612D+00         -0.002783         -0.006409
 Vib (Bot)    9  0.882076D+00         -0.054494         -0.125477
 Vib (Bot)   10  0.788433D+00         -0.103235         -0.237708
 Vib (Bot)   11  0.756781D+00         -0.121030         -0.278681
 Vib (Bot)   12  0.718444D+00         -0.143607         -0.330667
 Vib (Bot)   13  0.681236D+00         -0.166702         -0.383847
 Vib (Bot)   14  0.540797D+00         -0.266966         -0.614712
 Vib (Bot)   15  0.522029D+00         -0.282305         -0.650031
 Vib (Bot)   16  0.460623D+00         -0.336655         -0.775176
 Vib (Bot)   17  0.436028D+00         -0.360486         -0.830049
 Vib (Bot)   18  0.417564D+00         -0.379277         -0.873317
 Vib (Bot)   19  0.409451D+00         -0.387798         -0.892938
 Vib (Bot)   20  0.353436D+00         -0.451689         -1.040053
 Vib (Bot)   21  0.276158D+00         -0.558842         -1.286782
 Vib (Bot)   22  0.266627D+00         -0.574095         -1.321903
 Vib (V=0)       0.663036D+06          5.821537         13.404585
 Vib (V=0)    1  0.891236D+01          0.949993          2.187439
 Vib (V=0)    2  0.604256D+01          0.781221          1.798828
 Vib (V=0)    3  0.483355D+01          0.684266          1.575581
 Vib (V=0)    4  0.411473D+01          0.614341          1.414573
 Vib (V=0)    5  0.281382D+01          0.449296          1.034543
 Vib (V=0)    6  0.236264D+01          0.373397          0.859779
 Vib (V=0)    7  0.188684D+01          0.275736          0.634905
 Vib (V=0)    8  0.161232D+01          0.207452          0.477677
 Vib (V=0)    9  0.151393D+01          0.180106          0.414710
 Vib (V=0)   10  0.143361D+01          0.156431          0.360195
 Vib (V=0)   11  0.140704D+01          0.148306          0.341487
 Vib (V=0)   12  0.137531D+01          0.138400          0.318677
 Vib (V=0)   13  0.134503D+01          0.128733          0.296419
 Vib (V=0)   14  0.123652D+01          0.092201          0.212301
 Vib (V=0)   15  0.122285D+01          0.087374          0.201186
 Vib (V=0)   16  0.117983D+01          0.071821          0.165373
 Vib (V=0)   17  0.116342D+01          0.065735          0.151360
 Vib (V=0)   18  0.115143D+01          0.061237          0.141004
 Vib (V=0)   19  0.114626D+01          0.059283          0.136503
 Vib (V=0)   20  0.111230D+01          0.046224          0.106434
 Vib (V=0)   21  0.107119D+01          0.029868          0.068774
 Vib (V=0)   22  0.106665D+01          0.028021          0.064521
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.116324D+09          8.065668         18.571887
 Rotational      0.281133D+07          6.448912         14.849169
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3        33333333333333333                           111111111111111111111111111111111111                                       
     7        11111100000000000                           8665554444444443333333222222111100009999998888877766655444433322222211     
     2        87663199887643220                           051510999986210987651184321064109841877540755328506427672209548654205195432
     4        59720172860473763                           688239982091565285600015743326145475240931086236986475257070332978416418875
 
     X        XXXXXXXXXXXXXXXXX                           XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX  X XXXXXXXXXXXXXXXXXX XXXXXXXXXXX XXXX
     X             XX X   X XXX                           X  X           X            XX X X        X      X XXXX                    
     X              X X     XX                            X              X            XX X X               X  XX                     
     X              X X                                   X                           X    X                                         
     X              X                                     X                           X                                              
                    X                                     X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000002700   -0.000000405    0.000001092
      2        6           0.000001237    0.000003018   -0.000005361
      3        6           0.000000234   -0.000000515    0.000000826
      4        6          -0.000015854   -0.000002116    0.000005902
      5        6           0.000007750   -0.000004050   -0.000000903
      6        6          -0.000006593    0.000000545    0.000003350
      7        6          -0.000006712    0.000006523    0.000004967
      8        6          -0.000004530    0.000001275    0.000001615
      9        6           0.000004080   -0.000004027   -0.000012761
     10        6           0.000004161   -0.000010994    0.000003978
     11        6           0.000029668    0.000004342   -0.000000610
     12        6          -0.000007416    0.000002545    0.000004038
     13        8           0.000001254   -0.000000520   -0.000003365
     14        8           0.000000324   -0.000006314   -0.000004531
     15        1           0.000000299   -0.000002215    0.000000615
     16        1          -0.000000765    0.000000864    0.000001066
     17        1          -0.000000937    0.000003315   -0.000000179
     18        1           0.000000372    0.000001211   -0.000001255
     19        1           0.000001962   -0.000003538   -0.000000475
     20        1           0.000002378   -0.000003105   -0.000001875
     21        1           0.000004131    0.000004194    0.000001038
     22        1          -0.000001097    0.000001730    0.000000018
     23        1          -0.000001506    0.000000662    0.000000570
     24        1          -0.000001499    0.000003211    0.000004080
     25        1          -0.000001511    0.000003334   -0.000002528
     26        1          -0.000001485   -0.000001268   -0.000001264
     27        1          -0.000001114    0.000001344   -0.000000962
     28        1          -0.000005019    0.000000639    0.000003479
     29        6           0.000002628   -0.000006374   -0.000006008
     30        1          -0.000001168    0.000005075   -0.000001348
     31        1          -0.000003043   -0.000000872    0.000000886
     32        1          -0.000001601    0.000000940    0.000003482
     33        1          -0.000001327    0.000001549    0.000002424
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000029668 RMS     0.000004878
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.207369D+03 -0.113454D+01  0.170367D+01
      2  -0.113454D+01  0.136014D+03 -0.783703D+01
      3   0.170367D+01 -0.783703D+01  0.151684D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.100328D+02 -0.786428D+01  0.227531D+02
      2   0.244456D+01 -0.725486D+01  0.474925D+02
      3  -0.111326D+03 -0.330819D+02  0.138101D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.151688D+03  0.499114D+02 -0.242718D+02
      2  -0.857354D+02 -0.296186D+02  0.353925D+02
      3  -0.659523D+02 -0.202927D+02 -0.111207D+02
      4  -0.310222D+02  0.667313D+02 -0.153846D+02
      5  -0.276114D+02 -0.221304D+02  0.105499D+03
      6   0.159397D+01  0.197421D+02 -0.289960D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.110021D+02  0.206021D-02  0.693420D+00  0.531232D+01  0.196115D+01
      2   0.206021D-02  0.884096D+00 -0.146729D+00  0.196115D+01  0.173611D+01
      3   0.693420D+00 -0.146729D+00  0.112525D+01 -0.489200D+00 -0.275246D+01
                 6             7             8             9            10 
      1  -0.489200D+00 -0.921011D+01  0.298466D+00 -0.132485D+00  0.288788D+02
      2  -0.275246D+01  0.298466D+00 -0.118367D+01 -0.904802D+00  0.158904D+01
      3  -0.221242D+01 -0.132485D+00 -0.904802D+00 -0.200601D+01 -0.125787D+01
                11            12            13            14            15 
      1   0.158904D+01 -0.125787D+01 -0.972183D+00  0.366086D+01  0.159307D+01
      2   0.168727D+01 -0.698608D+00  0.366086D+01 -0.142613D+01 -0.940355D-01
      3  -0.698608D+00  0.281459D+01  0.159307D+01 -0.940355D-01 -0.928101D+00
                16            17            18            19            20 
      1  -0.324900D+01  0.173096D+01  0.108946D+01  0.805050D+01 -0.291830D+00
      2   0.173096D+01  0.134757D+00 -0.982579D+00 -0.291830D+00 -0.817885D+00
      3   0.108946D+01 -0.982579D+00 -0.223248D+00 -0.616842D+00 -0.367838D+00
                21            22            23            24            25 
      1  -0.616842D+00  0.361008D+01 -0.162514D+01 -0.108887D+01 -0.128123D+02
      2  -0.367838D+00 -0.162514D+01  0.254129D+01 -0.215306D+01  0.115264D+00
      3  -0.290740D+01 -0.108887D+01 -0.215306D+01 -0.101900D+01  0.210901D+00
                26            27            28            29            30 
      1   0.115264D+00  0.210901D+00 -0.263780D+02 -0.188121D+00  0.112282D+01
      2  -0.764369D+00 -0.724821D+00 -0.188121D+00 -0.133322D+01  0.230155D+00
      3  -0.724821D+00 -0.142497D+01  0.112282D+01  0.230155D+00 -0.258864D+01
                31            32            33            34            35 
      1   0.265613D+01 -0.478271D+01 -0.161158D+01  0.306110D+01 -0.148455D+01
      2  -0.478271D+01  0.759924D+00  0.471915D+00 -0.148455D+01  0.151173D+00
      3  -0.161158D+01  0.471915D+00  0.105669D+00 -0.532200D+00 -0.759650D+00
                36            37            38            39            40 
      1  -0.532200D+00  0.122062D+02 -0.697946D+00 -0.104039D+01 -0.421478D+01
      2  -0.759650D+00 -0.697946D+00 -0.209613D+01  0.142105D+01 -0.158326D+01
      3   0.685795D+00 -0.104039D+01  0.142105D+01 -0.165800D+01  0.158413D+00
                41            42            43            44            45 
      1  -0.158326D+01  0.158413D+00  0.103947D+02 -0.173546D+01  0.263898D+00
      2  -0.257070D+01  0.242040D+01 -0.173546D+01  0.110686D+01  0.125534D+01
      3   0.242040D+01  0.207359D+01  0.263898D+00  0.125534D+01  0.179760D+01
                46            47            48            49            50 
      1  -0.894090D+01  0.763448D+00  0.893194D+00 -0.196139D+01  0.151265D+01
      2   0.763448D+00  0.137384D+01 -0.633312D+00  0.151265D+01 -0.360833D+01
      3   0.893194D+00 -0.633312D+00  0.313337D+01  0.178410D+01  0.208734D+01
                51            52            53            54            55 
      1   0.178410D+01  0.126745D+02  0.123711D+01 -0.618868D+00 -0.133963D+02
      2   0.208734D+01  0.123711D+01 -0.203076D+00  0.136176D+01 -0.290444D+01
      3   0.901563D+00 -0.618868D+00  0.136176D+01  0.821539D+00 -0.517330D+00
                56            57            58            59            60 
      1  -0.290444D+01 -0.517330D+00 -0.641651D+01 -0.676783D+01 -0.366038D+00
      2  -0.361155D+01  0.666828D-01 -0.676783D+01  0.399037D+00 -0.195305D+01
      3   0.666828D-01 -0.142349D+01 -0.366038D+00 -0.195305D+01  0.172165D+01
                61            62            63            64            65 
      1  -0.169824D+01 -0.572329D+00 -0.300577D+01 -0.364756D+01  0.434313D+01
      2  -0.572329D+00 -0.260683D+01  0.260104D+01  0.434313D+01  0.284942D+01
      3  -0.300577D+01  0.260104D+01  0.456519D+01  0.238179D+01 -0.293077D+00
                66            67            68            69            70 
      1   0.238179D+01  0.122999D+02  0.485061D+01 -0.608173D-01  0.535020D+01
      2  -0.293077D+00  0.485061D+01  0.141164D+01  0.309747D+01  0.749117D+00
      3   0.504931D+00 -0.608173D-01  0.309747D+01 -0.232446D+01  0.945909D-01
                71            72            73            74            75 
      1   0.749117D+00  0.945909D-01  0.305373D+01 -0.316790D+01 -0.238658D+01
      2   0.325820D+01 -0.209264D+01 -0.316790D+01 -0.318567D+01 -0.302300D-01
      3  -0.209264D+01 -0.402827D+01 -0.238658D+01 -0.302300D-01 -0.120040D+01
                76            77            78            79            80 
      1  -0.463884D+01 -0.417055D+01 -0.265961D-01 -0.290101D+01  0.180348D+00
      2  -0.417055D+01 -0.769942D+00 -0.406175D+01  0.180348D+00 -0.311570D+01
      3  -0.265961D-01 -0.406175D+01  0.250023D+01 -0.224619D+00  0.220940D+01
                81            82            83            84            85 
      1  -0.224619D+00  0.294274D+01 -0.384473D+01 -0.141988D+01 -0.597534D+01
      2   0.220940D+01 -0.384473D+01 -0.364699D+01  0.312107D+00 -0.395592D+01
      3   0.258247D+01 -0.141988D+01  0.312107D+00 -0.805782D+00 -0.865175D-01
                86            87            88            89            90 
      1  -0.395592D+01 -0.865175D-01 -0.209172D+01 -0.883424D+00 -0.605008D+00
      2  -0.241267D+01 -0.236104D+01 -0.883424D+00 -0.305864D+01  0.174744D+01
      3  -0.236104D+01  0.254701D+01 -0.605008D+00  0.174744D+01  0.576915D+01
                91            92            93            94            95 
      1   0.385477D+01  0.264228D+01  0.412179D+00 -0.277390D+00  0.535445D+01
      2   0.264228D+01  0.153404D+01  0.884047D+00  0.535445D+01 -0.334571D+01
      3   0.412179D+00  0.884047D+00  0.134573D+01  0.180739D+01 -0.819537D-01
                96            97            98            99           100 
      1   0.180739D+01  0.352479D+01  0.164782D+01  0.184701D+01  0.288762D+01
      2  -0.819537D-01  0.164782D+01  0.166804D+01  0.188098D+01 -0.187228D+01
      3   0.142048D+01  0.184701D+01  0.188098D+01 -0.411479D+01  0.157042D+01
               101           102           103           104           105 
      1  -0.187228D+01  0.157042D+01 -0.196620D+01 -0.424534D+00 -0.136450D+01
      2   0.513339D+00 -0.866187D+00 -0.424534D+00  0.294312D+01  0.194080D+00
      3  -0.866187D+00  0.373204D+00 -0.136450D+01  0.194080D+00 -0.197631D+01
               106           107           108           109           110 
      1   0.261619D+01 -0.250528D+01  0.125792D+01 -0.542361D+01  0.216989D+01
      2  -0.250528D+01  0.204904D+01 -0.240926D+01  0.216989D+01 -0.165024D+01
      3   0.125792D+01 -0.240926D+01  0.287868D+01 -0.336838D+01  0.684706D+00
               111           112           113           114           115 
      1  -0.336838D+01  0.319469D+01 -0.249887D+01  0.126100D+01 -0.750865D+01
      2   0.684706D+00 -0.249887D+01  0.290849D+01 -0.223054D+01  0.297458D+01
      3  -0.184624D+01  0.126100D+01 -0.223054D+01  0.217342D+01 -0.306716D+01
               116           117           118           119           120 
      1   0.297458D+01 -0.306716D+01  0.904549D+00  0.445720D-01  0.118374D+01
      2  -0.448142D+01  0.205363D+01  0.445720D-01  0.198629D+01  0.440860D+00
      3   0.205363D+01 -0.735226D+01  0.118374D+01  0.440860D+00  0.307170D+00
               121           122           123           124           125 
      1   0.208567D+00  0.194008D+01  0.153252D+00  0.331736D+01 -0.114243D+01
      2   0.194008D+01 -0.573261D+01  0.693228D+00 -0.114243D+01  0.286502D+01
      3   0.153252D+00  0.693228D+00  0.328333D+00 -0.911619D+00  0.251693D+01
               126           127           128           129           130 
      1  -0.911619D+00  0.186744D+01  0.593292D+00 -0.183067D+01  0.237549D+00
      2   0.251693D+01  0.593292D+00  0.290550D+00 -0.315619D+00  0.142279D+00
      3   0.457447D+01 -0.183067D+01 -0.315619D+00  0.195543D+01 -0.542492D+00
               131           132           133           134           135 
      1   0.142279D+00 -0.542492D+00 -0.221576D+01 -0.878227D+00  0.256302D+01
      2   0.379046D+00 -0.545313D+00 -0.878227D+00 -0.118601D+01  0.153216D+01
      3  -0.545313D+00  0.200743D+01  0.256302D+01  0.153216D+01 -0.692370D+01
               136           137           138           139           140 
      1  -0.341063D+01  0.964948D+00 -0.179153D+01  0.151703D+01 -0.569693D+00
      2   0.964948D+00 -0.778381D+00  0.603454D+00 -0.569693D+00  0.637103D+00
      3  -0.179153D+01  0.603454D+00 -0.173544D+01  0.112737D+01 -0.621822D+00
               141           142           143           144           145 
      1   0.112737D+01 -0.248333D+01  0.970591D+00 -0.236719D+01 -0.199735D+01
      2  -0.621822D+00  0.970591D+00 -0.127174D+01  0.142959D+01 -0.625072D+00
      3   0.175694D+01 -0.236719D+01  0.142959D+01 -0.432655D+01  0.200818D+01
               146           147           148           149           150 
      1  -0.625072D+00  0.200818D+01 -0.359440D+00 -0.175533D+00  0.622532D+00
      2  -0.364816D+00  0.607705D+00 -0.175533D+00 -0.610055D+00  0.798860D+00
      3   0.607705D+00 -0.222386D+01  0.622532D+00  0.798860D+00 -0.229650D+01
               151           152           153           154           155 
      1   0.204231D+01  0.100189D+01 -0.257691D+01  0.345923D+01 -0.110078D+01
      2   0.100189D+01  0.164763D+01 -0.239329D+01 -0.110078D+01  0.104013D+01
      3  -0.257691D+01 -0.239329D+01  0.721726D+01  0.239916D+01 -0.105588D+01
               156           157           158           159           160 
      1   0.239916D+01 -0.194676D+01  0.777716D+00 -0.137990D+01  0.244843D+01
      2  -0.105588D+01  0.777716D+00 -0.940502D+00  0.973504D+00 -0.122690D+01
      3   0.211826D+01 -0.137990D+01  0.973504D+00 -0.201332D+01  0.268089D+01
               161           162           163           164           165 
      1  -0.122690D+01  0.268089D+01  0.153503D+01 -0.357758D+00 -0.158904D+01
      2   0.176876D+01 -0.208163D+01 -0.357758D+00  0.873705D+00  0.402045D+00
      3  -0.208163D+01  0.460929D+01 -0.158904D+01  0.402045D+00  0.127854D+01
               166           167           168           169           170 
      1   0.103289D+01  0.142636D+01  0.426902D+00 -0.441402D+01  0.656234D+00
      2   0.142636D+01 -0.109718D+01 -0.120146D+01  0.656234D+00 -0.183413D+01
      3   0.426902D+00 -0.120146D+01 -0.129361D+01  0.284836D+01 -0.241462D+01
               171           172           173           174           175 
      1   0.284836D+01  0.324623D+01 -0.177639D+01  0.102634D+01 -0.263574D+01
      2  -0.241462D+01 -0.177639D+01  0.228972D+01 -0.339858D+00  0.309854D+01
      3  -0.655392D+01  0.102634D+01 -0.339858D+00  0.675324D+00 -0.505873D+00
               176           177           178           179           180 
      1   0.309854D+01 -0.505873D+00  0.423883D+01 -0.876311D+00  0.113274D+01
      2  -0.544649D+01  0.135841D+01 -0.876311D+00  0.265408D+01 -0.149403D+01
      3   0.135841D+01 -0.111380D+01  0.113274D+01 -0.149403D+01  0.897247D+00
               181           182           183           184           185 
      1   0.126987D+02 -0.148864D+01 -0.165170D+01 -0.309473D+01  0.113228D+01
      2  -0.148864D+01  0.120485D+01  0.215106D+00  0.113228D+01 -0.102368D+01
      3  -0.165170D+01  0.215106D+00  0.147239D+01  0.139541D+00 -0.697256D+00
               186           187           188           189           190 
      1   0.139541D+00 -0.231900D+01 -0.177143D-02  0.190172D+01  0.415324D+01
      2  -0.697256D+00 -0.177143D-02 -0.778241D+00  0.504469D-01  0.298289D+01
      3  -0.107543D+00  0.190172D+01  0.504469D-01 -0.337274D+00  0.214361D+01
               191           192           193           194           195 
      1   0.298289D+01  0.214361D+01  0.385857D+01  0.366554D+01  0.185178D+01
      2   0.283046D+01  0.122852D+01  0.366554D+01  0.484926D+01  0.248085D+01
      3   0.122852D+01  0.187681D+01  0.185178D+01  0.248085D+01  0.210016D+01
               196           197           198           199           200 
      1   0.129647D+01  0.886965D+00  0.149766D+01  0.120197D+01 -0.697322D+00
      2   0.886965D+00  0.132863D+01  0.117283D+01 -0.697322D+00  0.128942D+01
      3   0.149766D+01  0.117283D+01  0.128030D+01  0.149030D+01 -0.643601D+00
               201           202           203           204           205 
      1   0.149030D+01 -0.157035D+01  0.131210D+01 -0.130693D+01  0.156810D+01
      2  -0.643601D+00  0.131210D+01 -0.343000D+01  0.251803D+01 -0.664805D+00
      3   0.147912D+01 -0.130693D+01  0.251803D+01 -0.353154D+01  0.146675D+01
               206           207           208           209           210 
      1  -0.664805D+00  0.146675D+01 -0.719063D+01  0.142392D+00  0.605779D+00
      2   0.205369D+01 -0.205914D+01  0.142392D+00 -0.136550D+01 -0.824438D+00
      3  -0.205914D+01  0.367952D+01  0.605779D+00 -0.824438D+00 -0.206273D+01
               211           212           213           214           215 
      1   0.178008D-01 -0.827438D+00 -0.632848D+00  0.535286D+00 -0.475878D+00
      2  -0.827438D+00  0.765060D+00  0.795538D+00 -0.475878D+00  0.602235D+00
      3  -0.632848D+00  0.795538D+00  0.441662D+00 -0.947540D+00  0.126139D+00
               216           217           218           219           220 
      1  -0.947540D+00 -0.551892D+01  0.124688D+01  0.512745D+00  0.271506D+01
      2   0.126139D+00  0.124688D+01 -0.186945D+01  0.245161D+00  0.107688D-01
      3   0.101961D+01  0.512745D+00  0.245161D+00 -0.106211D+01 -0.128862D+00
               221           222           223           224           225 
      1   0.107688D-01 -0.128862D+00  0.743383D+00 -0.156850D+00 -0.481730D+00
      2   0.209766D+01  0.466756D-01 -0.156850D+00  0.674909D+00  0.133169D+00
      3   0.466756D-01  0.227110D+00 -0.481730D+00  0.133169D+00 -0.284695D+00
               226           227           228           229           230 
      1   0.332645D+00  0.426538D+00 -0.108015D+01  0.272562D-01  0.356590D+00
      2   0.426538D+00  0.577663D+00 -0.115932D+00  0.356590D+00 -0.110990D+00
      3  -0.108015D+01 -0.115932D+00  0.940308D+00  0.427918D-01 -0.647906D+00
               231           232           233           234           235 
      1   0.427918D-01 -0.151081D+01 -0.320242D+00  0.125165D+01  0.349846D+01
      2  -0.647906D+00 -0.320242D+00 -0.135043D+01  0.452540D+00  0.345407D+01
      3  -0.106853D+01  0.125165D+01  0.452540D+00 -0.866029D+01  0.380154D-01
               236           237           238           239           240 
      1   0.345407D+01  0.380154D-01  0.350901D+01  0.419982D+01 -0.130776D+00
      2   0.397092D+01 -0.204071D+00  0.419982D+01  0.708224D+01 -0.145858D-01
      3  -0.204071D+00  0.969483D+00 -0.130776D+00 -0.145858D-01  0.758600D+00
               241           242           243           244           245 
      1   0.105501D+01  0.773007D+00  0.785163D+00  0.324537D+00 -0.879862D+00
      2   0.773007D+00  0.157975D+01  0.661593D+00 -0.879862D+00 -0.453400D+00
      3   0.785163D+00  0.661593D+00 -0.985369D-01  0.132775D+01  0.692464D-01
               246           247           248           249           250 
      1   0.132775D+01 -0.127805D+01 -0.938461D+00  0.175288D+00  0.251809D+01
      2   0.692464D-01 -0.938461D+00 -0.574872D+00  0.108913D+01  0.219860D+00
      3  -0.110116D+01  0.175288D+00  0.108913D+01 -0.117996D+01 -0.187610D+01
               251           252           253           254           255 
      1   0.219860D+00 -0.187610D+01  0.759461D+01 -0.659134D+00 -0.181777D+01
      2   0.151074D+01 -0.104616D+01 -0.659134D+00 -0.323562D+01 -0.711000D+00
      3  -0.104616D+01  0.594098D+01 -0.181777D+01 -0.711000D+00 -0.100407D+01
               256           257           258           259           260 
      1  -0.474993D+01 -0.348264D+01 -0.116964D+01 -0.613981D+01 -0.149242D+01
      2  -0.348264D+01  0.381110D+01 -0.124929D+01 -0.149242D+01 -0.230729D+01
      3  -0.116964D+01 -0.124929D+01 -0.172393D+01 -0.148308D+01 -0.138729D+01
               261           262           263           264           265 
      1  -0.148308D+01 -0.895342D+00  0.137297D+01  0.481812D+00  0.153642D+01
      2  -0.138729D+01  0.137297D+01 -0.186339D+01 -0.452310D+00 -0.265018D+01
      3   0.365794D+01  0.481812D+00 -0.452310D+00 -0.392813D+00 -0.528622D+00
               266           267           268           269           270 
      1  -0.265018D+01 -0.528622D+00 -0.204481D+00  0.492713D+00 -0.190641D+00
      2   0.932609D+01  0.184858D+01  0.492713D+00 -0.136431D+01  0.532421D+00
      3   0.184858D+01  0.165486D+01 -0.190641D+00  0.532421D+00  0.507731D+00
               271           272           273           274           275 
      1  -0.146003D+02 -0.179398D+01  0.311215D+00  0.646179D+00 -0.101874D+01
      2  -0.179398D+01 -0.139772D+01 -0.128257D+00 -0.101874D+01 -0.444987D+00
      3   0.311215D+00 -0.128257D+00 -0.107603D+01  0.109768D+00  0.225326D+00
               276           277           278           279           280 
      1   0.109768D+00  0.231568D+01  0.462910D+00 -0.115780D+01  0.279337D-01
      2   0.225326D+00  0.462910D+00  0.626318D+00  0.918487D-02 -0.728819D+00
      3   0.260975D+00 -0.115780D+01  0.918487D-02  0.835292D-01  0.309407D+00
               281           282           283           284           285 
      1  -0.728819D+00  0.309407D+00 -0.151939D+01 -0.275637D+00 -0.292754D-01
      2   0.200810D+01  0.220641D+00 -0.275637D+00 -0.831704D+01 -0.147353D-01
      3   0.220641D+00  0.407050D+00 -0.292754D-01 -0.147353D-01 -0.917333D+00
               286           287           288           289           290 
      1   0.100984D+01  0.341869D+00  0.736677D-01 -0.317285D+00  0.336601D+00
      2   0.341869D+00  0.118633D+01 -0.736290D+00  0.336601D+00  0.466180D+00
      3   0.736677D-01 -0.736290D+00 -0.929822D-01 -0.543743D+00  0.195453D+00
               291           292           293           294           295 
      1  -0.543743D+00  0.119758D+01  0.345338D+00  0.196144D+00 -0.195206D+01
      2   0.195453D+00  0.345338D+00  0.214725D+00 -0.419078D+00 -0.322830D+00
      3   0.311210D+00  0.196144D+00 -0.419078D+00  0.726690D+00 -0.786687D+00
               296           297 
      1  -0.322830D+00 -0.786687D+00
      2  -0.136030D+01 -0.240386D+00
      3  -0.240386D+00 -0.614082D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.278070D+01 -0.187598D+01  0.181776D+01 -0.737486D+01 -0.195029D+01
      2   0.292671D+01 -0.272675D+01  0.953378D+01 -0.250892D+01  0.218437D+01
      3   0.182822D+02 -0.129662D+01  0.279284D+01  0.697225D+01 -0.192552D+01
                 6             7             8             9            10 
      1  -0.209495D+01 -0.547231D+00  0.179751D+01 -0.273994D+00 -0.371510D+01
      2  -0.360767D+01 -0.425725D+01 -0.109215D+01  0.283117D+01 -0.903303D+00
      3   0.278086D+01  0.143744D+02  0.328578D+00  0.237679D+01 -0.356208D+02
                11            12            13            14            15 
      1  -0.270695D+00  0.105592D+01  0.334239D+01  0.442475D+01 -0.899377D+01
      2   0.590719D+00 -0.272404D+01  0.445174D+01 -0.419357D+00  0.371666D+00
      3  -0.177166D+01  0.985236D+00  0.999729D+01 -0.162716D+01 -0.999685D+00
                16            17            18            19            20 
      1  -0.419831D+01 -0.152874D+01 -0.424960D+01 -0.104143D+01  0.104688D+01
      2  -0.223611D+02 -0.155705D+01 -0.380801D+01 -0.411112D+01 -0.196744D+01
      3  -0.345217D+00 -0.178335D+01 -0.302703D+00 -0.104731D+02 -0.168155D+01
                21            22            23            24            25 
      1  -0.156339D+01  0.589092D+01 -0.226698D+01 -0.347209D+01  0.517070D+01
      2   0.329286D+01 -0.423281D+01 -0.236643D+01  0.102027D+01 -0.141883D+01
      3   0.290345D+01  0.827134D+01  0.138921D+01 -0.256154D+01  0.180582D+02
                26            27            28            29            30 
      1   0.134277D+01 -0.193431D+01  0.216731D+01  0.874799D+00 -0.324201D+01
      2   0.644224D+00 -0.222526D+01  0.300385D+00  0.218986D+01 -0.355809D+01
      3  -0.724603D+00 -0.434330D+01  0.277144D+02  0.879802D+00 -0.284973D+01
                31            32            33            34            35 
      1  -0.163789D+01  0.470267D+01 -0.850862D+01 -0.572982D+01 -0.729256D+00
      2   0.518474D+01 -0.186383D+00  0.258955D+01 -0.242914D+02  0.339466D+01
      3   0.716159D+01  0.517668D+01  0.100898D+01 -0.694251D+01 -0.189997D+01
                36            37            38            39            40 
      1  -0.310765D+01 -0.321470D+01 -0.257541D-01 -0.116280D+01 -0.488556D+01
      2  -0.244385D+00 -0.165918D+01 -0.248323D+01  0.824141D+01 -0.357786D+01
      3   0.245502D+01 -0.142319D+02 -0.159890D+00  0.280786D+01  0.155058D+02
                41            42            43            44            45 
      1   0.175367D+01  0.983378D+00 -0.232622D+01  0.344817D+01  0.273171D+01
      2   0.171928D+01 -0.273420D+01 -0.653620D+01 -0.847966D+00  0.202572D+01
      3  -0.415770D+00  0.208286D+01 -0.976965D+01  0.347995D+01  0.158545D+01
                46            47            48            49            50 
      1   0.286628D+01  0.878129D+00  0.299785D+01  0.944856D+01  0.143726D+01
      2  -0.523925D+00 -0.197426D+01  0.316447D+01 -0.389688D+01 -0.182024D+01
      3   0.145327D+02 -0.191240D+01 -0.799397D+00  0.123015D+02  0.147126D+01
                51            52            53            54            55 
      1  -0.233001D+01  0.257818D+01  0.312096D+01  0.816970D-01  0.193913D+01
      2   0.119971D+01 -0.387648D+01  0.843995D+00 -0.316528D+00 -0.696650D+01
      3  -0.525217D+01 -0.131206D+02 -0.143958D+01 -0.177171D+01  0.233338D+02
                56            57            58            59            60 
      1   0.166714D+01 -0.124470D+00  0.390999D+01 -0.289134D+01  0.244489D+01
      2  -0.520447D+00 -0.258117D+01 -0.399223D+01 -0.116181D+02  0.759407D+01
      3   0.120919D+02 -0.219449D-01  0.385631D+02  0.840286D+01  0.784544D+01
                61            62            63            64            65 
      1  -0.470934D+00  0.751439D+01  0.414297D+01 -0.190483D+01 -0.915214D-01
      2  -0.192698D+02  0.849328D+01  0.151998D+02  0.116134D+02 -0.318048D+00
      3   0.395620D+01  0.105094D+02 -0.470213D+01 -0.273737D+02 -0.158451D+02
                66            67            68            69            70 
      1  -0.705753D+00 -0.321866D+01 -0.216631D+01 -0.297810D+01  0.261503D+01
      2   0.583713D+01  0.424478D+01  0.147438D+02 -0.106725D+02 -0.142553D+01
      3   0.180417D+01 -0.251543D+02 -0.733379D+01 -0.126579D+02 -0.579007D+01
                71            72            73            74            75 
      1   0.501799D+01  0.179380D+01 -0.179996D+01 -0.583660D+01  0.635148D+00
      2  -0.902896D+01 -0.167674D+02 -0.175285D+02  0.512015D+01  0.350668D+01
      3  -0.140881D+02  0.703757D+01  0.166218D+02  0.895656D+01 -0.249848D+01
                76            77            78            79            80 
      1  -0.831416D+01  0.191677D+01 -0.130290D+02  0.491503D+00 -0.629588D+01
      2   0.624943D+01 -0.100581D+02  0.107026D+02  0.331215D+01  0.917777D+01
      3   0.167397D+02  0.748104D+00  0.157560D+02 -0.267776D+01  0.123742D+02
                81            82            83            84            85 
      1   0.260211D+01  0.618900D+01  0.392942D+01  0.131133D+01  0.578832D+01
      2   0.122183D+02 -0.544880D+00 -0.369555D+01 -0.222887D+01 -0.709178D+01
      3  -0.897369D+01  0.238803D+02  0.394176D+01 -0.251194D+01  0.744714D+01
                86            87            88            89            90 
      1   0.858967D+01 -0.433317D+01  0.295752D+01  0.303380D+01 -0.149730D+02
      2  -0.137368D+02  0.101063D+02 -0.582164D+01  0.657159D+01  0.197902D+02
      3   0.103976D+01  0.980226D+01  0.529938D+00  0.108947D+02 -0.683802D+01
                91            92            93            94            95 
      1   0.623964D+00  0.183453D+00  0.190243D+01  0.205399D+01 -0.173581D+01
      2  -0.391410D+01 -0.325602D+01 -0.116252D+00 -0.406985D+01 -0.259828D+01
      3  -0.964276D+00 -0.971708D+00  0.271453D+01  0.303722D+02 -0.152622D+02
                96            97            98            99           100 
      1  -0.326805D+01  0.268066D+01  0.472262D+01 -0.126874D+01 -0.110864D+01
      2  -0.645049D+01 -0.150329D+02 -0.638861D+01  0.143901D+02  0.160538D+01
      3  -0.135577D+01  0.207307D+01  0.381539D+01  0.478459D+01  0.103749D+02
               101           102           103           104           105 
      1  -0.519134D+01 -0.489607D+01 -0.244055D+00 -0.152192D+00  0.252429D+01
      2   0.354231D+01  0.491366D+01  0.230158D+01  0.104536D+01  0.131368D+02
      3  -0.120770D+02 -0.477701D+01 -0.638309D+01  0.217996D+01  0.293528D+01
               106           107           108           109           110 
      1  -0.671678D+01  0.699602D+00 -0.381414D+01  0.422358D+01  0.273705D+01
      2  -0.334353D+01  0.962419D+01 -0.164746D+02  0.866196D+01 -0.261732D+01
      3  -0.100095D+02  0.131073D+02 -0.600399D+01 -0.404983D+00 -0.499019D+01
               111           112           113           114           115 
      1   0.397281D+01 -0.528183D+00  0.326454D+00 -0.679870D+01  0.416837D+01
      2   0.867132D+01 -0.638801D+00  0.734037D+01 -0.105103D+02  0.385384D+01
      3   0.533914D+00 -0.401846D+01  0.123014D+02 -0.753168D+01  0.106967D+02
               116           117           118           119           120 
      1   0.470486D+01  0.115594D+02 -0.341238D+01  0.267839D+01  0.835000D-01
      2  -0.631741D+01  0.289723D+02 -0.525837D+01 -0.104293D+01 -0.139108D+00
      3  -0.186735D+02  0.544102D+01 -0.729171D+00  0.604471D+01  0.409588D+01
               121           122           123           124           125 
      1   0.942070D+00 -0.562430D+01 -0.294437D+01 -0.200654D+01  0.710743D+01
      2  -0.231403D+01 -0.400500D+01 -0.206791D+01 -0.206523D+01 -0.718864D+01
      3   0.732399D+01 -0.142688D+02  0.258194D+01 -0.141588D+01  0.848399D+01
               126           127           128           129           130 
      1  -0.691654D+01 -0.214504D+01 -0.198712D+01  0.104111D+01 -0.414240D+00
      2  -0.144422D+02  0.433010D+01  0.114970D+01 -0.110025D+01  0.394102D+00
      3   0.796329D+01 -0.446705D+00 -0.828250D+00  0.785101D+00  0.767543D+00
               131           132           133           134           135 
      1  -0.129648D+01 -0.135050D+00  0.316135D+01  0.541190D+01 -0.521205D+01
      2  -0.460643D-01  0.556204D+00 -0.496237D+01 -0.606538D+00 -0.197267D+01
      3  -0.315352D+00  0.202762D+00  0.100326D+01  0.213921D+01 -0.166450D+01
               136           137           138           139           140 
      1  -0.210507D+01  0.307327D+01 -0.801675D+00  0.106606D+01 -0.129418D+01
      2  -0.758643D+01  0.159079D+01 -0.104438D+01  0.196000D+01 -0.595241D+00
      3   0.586636D+00 -0.155068D+01  0.756480D+00  0.499530D+00  0.118045D+01
               141           142           143           144           145 
      1  -0.422013D+00 -0.218009D+01  0.411785D+01 -0.268051D+01  0.188254D+01
      2   0.214539D+00 -0.467431D+01  0.795267D+00  0.565658D+00  0.399107D+01
      3  -0.391997D+00  0.648163D+00 -0.248883D+01  0.167672D+01  0.287885D+01
               146           147           148           149           150 
      1  -0.940959D+00 -0.252717D+01  0.921965D+00 -0.592645D-03 -0.365999D+01
      2   0.435439D+00 -0.107091D+01  0.394025D+00 -0.898885D-01  0.573824D+00
      3   0.554238D-01 -0.220893D+01  0.152389D+01 -0.277116D+00 -0.635811D+00
               151           152           153           154           155 
      1  -0.175385D+01  0.212032D+01  0.581806D+01  0.280313D+01  0.130309D+01
      2  -0.458742D+01 -0.429723D+00 -0.691511D+00 -0.458325D+01  0.524792D-01
      3  -0.260102D+01  0.615697D+00  0.223293D+01 -0.545868D+01 -0.977003D+00
               156           157           158           159           160 
      1   0.264366D+01 -0.178361D+01  0.260194D+00 -0.365367D+01  0.271418D+01
      2  -0.245234D+00  0.145150D+01  0.189265D+00 -0.114817D+01 -0.249945D+01
      3  -0.245963D+01  0.389641D+01  0.596804D+00  0.992431D+00 -0.306550D+01
               161           162           163           164           165 
      1   0.119497D+01  0.466142D+01 -0.129337D+01 -0.546997D+00  0.130837D+01
      2  -0.439844D+00  0.203223D+01 -0.552321D+01  0.636276D+00  0.489859D+01
      3  -0.145876D+01 -0.166799D+01 -0.123906D+01 -0.374724D+01  0.807705D+00
               166           167           168           169           170 
      1  -0.331393D+00 -0.180523D+00 -0.191008D+01  0.261864D+01  0.111171D+01
      2   0.155570D+01 -0.306450D+01 -0.446467D+01  0.462328D+01 -0.834728D+01
      3  -0.462357D+01  0.202255D+01  0.292799D+01  0.340366D+01  0.559340D+01
               171           172           173           174           175 
      1  -0.693058D+01  0.180275D+01 -0.134883D+01  0.168286D+01 -0.232609D+01
      2  -0.217229D+02  0.629226D+01 -0.229793D+01  0.455257D+01 -0.279395D+01
      3   0.396260D+01  0.219927D+01 -0.686112D+01  0.194366D-01 -0.494524D+01
               176           177           178           179           180 
      1   0.402029D+01 -0.452030D+01  0.158848D+01 -0.207618D+01  0.280932D+01
      2   0.706274D+01 -0.528140D+01  0.393788D+01 -0.610476D+01  0.391390D+01
      3   0.150178D+02 -0.375472D+01 -0.283891D+01 -0.854326D+01  0.351940D+01
               181           182           183           184           185 
      1   0.284931D+00 -0.571567D+00 -0.213562D+00  0.676726D-01  0.488914D+00
      2  -0.365952D+01  0.573660D+00  0.915073D+01 -0.437997D+00 -0.310028D+01
      3   0.585237D+01 -0.844767D+01 -0.898048D+00 -0.208497D+01  0.468474D+01
               186           187           188           189           190 
      1  -0.901896D+00 -0.426353D+00  0.104292D+01 -0.139425D+00  0.330219D+01
      2  -0.217754D+00  0.594041D+01  0.330425D+00 -0.838098D+00  0.225168D+01
      3   0.331468D+01  0.562323D+00  0.408529D+01 -0.510144D+00 -0.879385D+01
               191           192           193           194           195 
      1   0.491682D+01 -0.527922D+00  0.520770D+01  0.702976D+01  0.873526D-01
      2   0.333298D+00  0.621408D+01  0.243054D-01  0.466251D+01  0.709900D+01
      3  -0.112232D+02 -0.351650D+01 -0.100170D+02 -0.183357D+02 -0.888166D+01
               196           197           198           199           200 
      1   0.100778D+01  0.277101D+01  0.697597D+00 -0.233874D+01  0.309476D+01
      2   0.239109D+01  0.292384D+01  0.321966D+01  0.516842D+01 -0.132005D+01
      3  -0.184709D+01 -0.520132D+01 -0.382837D+01  0.265168D+01 -0.599010D+01
               201           202           203           204           205 
      1  -0.179043D+01  0.266667D+01 -0.958933D+01  0.491970D+01 -0.199358D+01
      2   0.467670D+01 -0.111157D+01  0.863099D+01 -0.133899D+02  0.111221D+01
      3   0.310429D+01 -0.329370D+01  0.148790D+02 -0.983642D+01  0.246304D+01
               206           207           208           209           210 
      1   0.741241D+01 -0.537858D+01 -0.197839D+01 -0.277847D+01  0.122988D+01
      2  -0.764957D+01  0.127516D+02  0.200117D+02 -0.322243D+01 -0.812725D+01
      3  -0.863231D+01  0.843728D+01 -0.821997D+01  0.382421D+01  0.397858D+01
               211           212           213           214           215 
      1  -0.168391D+01  0.144996D+00 -0.123623D+00  0.748866D+00  0.192323D+01
      2  -0.235701D+01  0.499979D+01  0.231712D+01 -0.808450D+01  0.118083D+01
      3   0.509604D+01 -0.270928D+01 -0.324538D+01  0.270262D+01 -0.195261D+01
               216           217           218           219           220 
      1  -0.321286D+00 -0.167338D+01  0.153591D+01  0.277114D+01 -0.696922D-01
      2   0.509219D+01 -0.657710D+01  0.236360D+01 -0.139206D+01  0.304632D+01
      3  -0.144122D+01 -0.213526D+02  0.694407D+01  0.264333D+00  0.624491D+01
               221           222           223           224           225 
      1  -0.235064D+01 -0.979916D+00  0.181504D+01  0.532224D+00 -0.475969D-01
      2  -0.233549D-01 -0.421170D+00 -0.305314D+01 -0.252207D+00 -0.154008D+01
      3  -0.706667D+01 -0.662250D+00  0.176922D+01 -0.272883D+01 -0.156081D+01
               226           227           228           229           230 
      1   0.125353D+01 -0.600289D+00 -0.123976D+01 -0.277436D+00  0.180192D+01
      2  -0.421113D+01 -0.191228D+00  0.267858D+01 -0.461521D+00 -0.191750D+01
      3  -0.234579D+01 -0.234507D+01 -0.923143D+00 -0.306267D+00  0.143060D+01
               231           232           233           234           235 
      1   0.187124D+01 -0.130577D+01  0.453847D+01  0.154368D+02 -0.411812D+01
      2  -0.430720D+01 -0.763264D+00  0.946841D+00 -0.304763D+02  0.361980D+01
      3   0.190927D+01 -0.124642D+01  0.480633D+01 -0.170048D+01 -0.670227D+01
               236           237           238           239           240 
      1  -0.432909D+01 -0.314041D+01 -0.530515D+01 -0.822679D+01 -0.394612D+01
      2   0.248114D+01  0.543391D+01  0.352318D+01  0.409849D+01  0.377019D+01
      3  -0.109530D+02  0.122755D+01 -0.631868D+01 -0.206650D+02 -0.429256D-02
               241           242           243           244           245 
      1  -0.223055D+01 -0.176713D+01 -0.100985D+01  0.212792D+00 -0.337886D+00
      2   0.337981D+01  0.285135D+01  0.491737D+00 -0.547613D+01  0.157808D+00
      3  -0.715153D+00 -0.530370D+01 -0.129013D+01 -0.281319D+01 -0.161041D+01
               246           247           248           249           250 
      1  -0.783414D+00 -0.858079D-01  0.833708D-01 -0.850871D+00 -0.119903D+01
      2   0.356151D+01  0.431337D+00 -0.262714D+01  0.398575D+01  0.102435D+01
      3  -0.515098D+00 -0.558983D+00 -0.108663D+01  0.278738D+01 -0.119818D+01
               251           252           253           254           255 
      1   0.272025D+01  0.306873D+01 -0.203436D+01  0.897355D+00 -0.207327D+01
      2   0.347142D+01 -0.180772D+02  0.145396D+02  0.329922D+01  0.604102D+01
      3   0.389979D+01 -0.198504D+01 -0.158575D+02 -0.138703D+02  0.221866D+00
               256           257           258           259           260 
      1  -0.144312D+01 -0.572305D+01 -0.370656D+01 -0.638272D+00  0.104014D+01
      2   0.443389D+01  0.443925D+01  0.587670D+01  0.402930D+01  0.505813D+01
      3  -0.574540D+01  0.204380D+02 -0.331490D+01  0.127014D+01 -0.576566D+01
               261           262           263           264           265 
      1   0.841740D+01  0.881145D+00 -0.138978D+01  0.531703D+00 -0.250023D+01
      2  -0.177908D+02 -0.647422D+00  0.232385D+00  0.100471D+01 -0.853002D-01
      3  -0.451606D+01  0.277972D+01 -0.405812D+01 -0.164338D+01 -0.359872D+01
               266           267           268           269           270 
      1   0.908997D+01 -0.192786D+01  0.399603D+00 -0.115543D+01  0.877067D+00
      2  -0.358881D+01 -0.501316D+01  0.168554D+00 -0.161611D+01 -0.112226D+01
      3   0.272437D+02  0.545597D+01  0.123483D+01 -0.457387D+01  0.153896D+01
               271           272           273           274           275 
      1   0.113710D+01  0.551975D+00 -0.216528D+01  0.794997D+00  0.602067D+00
      2  -0.797143D+01 -0.171504D+00  0.784632D+01 -0.692909D+00 -0.138691D+01
      3   0.149406D+02 -0.603916D+01 -0.116204D+01 -0.361980D+01 -0.253607D+00
               276           277           278           279           280 
      1  -0.116480D+00 -0.194897D+01  0.655966D+00 -0.251889D-01  0.130898D+01
      2  -0.758762D+00  0.435021D+01 -0.290310D+00 -0.472885D+00 -0.110276D+01
      3   0.856235D+00 -0.157635D+01  0.191194D+01  0.187053D+01 -0.458302D+01
               281           282           283           284           285 
      1  -0.684665D+00  0.154050D+01 -0.327042D+00  0.492408D+01 -0.406036D+01
      2  -0.937070D+00 -0.125166D+01 -0.799655D+00  0.702047D-01  0.314971D+01
      3   0.763119D+01 -0.160223D+00  0.483461D+01 -0.298489D+02  0.459773D+00
               286           287           288           289           290 
      1   0.643441D+00 -0.993438D+00  0.460911D+00 -0.177554D+01 -0.560909D+00
      2  -0.156868D+01  0.245332D+01  0.442990D+00  0.428821D+01  0.771342D-01
      3  -0.109550D+01  0.372359D+01 -0.271404D+01  0.154602D+01  0.828712D+00
               291           292           293           294           295 
      1   0.431418D+00 -0.202693D+00 -0.223175D+01  0.989539D+00 -0.251735D+00
      2  -0.179557D+01  0.141644D+01  0.206200D+01 -0.321872D+01 -0.191942D+01
      3   0.106034D+01  0.838671D+00  0.622292D+00 -0.176442D+01  0.150954D+01
               296           297 
      1   0.345183D+01 -0.107939D+02
      2  -0.378270D-01  0.241960D+02
      3  -0.451049D+01  0.932192D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.627347D+00 -0.909134D+01  0.197447D+02  0.117470D+02 -0.203183D+01
      2   0.751803D+01  0.381019D+01 -0.732657D+01 -0.330896D+01  0.243319D+01
      3  -0.689068D+01  0.528115D+01 -0.124181D+02 -0.843806D+01 -0.401359D+00
      4  -0.175528D+01  0.180408D+01 -0.886406D+00  0.772687D+01  0.457520D+01
      5   0.212155D+02  0.703070D-01 -0.779810D+01 -0.925208D+01 -0.367333D+01
      6  -0.399930D+00 -0.275070D+01  0.190041D+01 -0.135044D+01  0.409125D+01
                 6             7             8             9            10 
      1  -0.182118D+02 -0.206379D+02 -0.916936D+01  0.453817D+01  0.481888D+02
      2   0.222204D+01  0.383458D+01  0.223316D+01  0.374699D+01 -0.239379D+02
      3   0.159898D+02  0.168033D+02  0.693621D+01 -0.828516D+01 -0.242509D+02
      4  -0.439383D+01  0.384006D+01 -0.192426D+01 -0.461699D+01 -0.101440D+02
      5  -0.308931D+01  0.101312D+02 -0.406035D+01  0.528670D+01 -0.906920D+01
      6   0.126215D+02 -0.689480D+01  0.509233D+01  0.140645D+02  0.374273D+01
                11            12            13            14            15 
      1   0.762638D+01 -0.182653D+01  0.121449D+02 -0.371311D+01  0.653362D+01
      2  -0.708696D+01  0.377814D+01 -0.131768D+02  0.769330D+01 -0.864226D+00
      3  -0.539422D+00 -0.195162D+01  0.103190D+01 -0.398019D+01 -0.566939D+01
      4   0.136047D+01 -0.314508D+01  0.135734D+02 -0.867133D+01 -0.606108D+00
      5  -0.374852D+01  0.896634D+01  0.145639D+02  0.150702D+00 -0.319279D+01
      6   0.142575D+01 -0.645544D+01 -0.442111D+01  0.481317D+01  0.888726D+01
                16            17            18            19            20 
      1  -0.632332D+01  0.641537D+01 -0.195747D+02 -0.202569D+01  0.517930D+01
      2  -0.307419D+01  0.404244D+01  0.329567D+01 -0.282052D+01 -0.214726D+01
      3   0.939751D+01 -0.104578D+02  0.162790D+02  0.484621D+01 -0.303204D+01
      4   0.152545D+02  0.802946D+00 -0.374538D+01  0.333115D+01 -0.322493D+00
      5  -0.148488D+02 -0.336215D+01 -0.275844D+01 -0.179240D+02  0.278027D+01
      6  -0.513808D+01  0.272853D+01 -0.386624D+01  0.333981D+01  0.435477D+01
                21            22            23            24            25 
      1  -0.235265D+02 -0.914639D+01 -0.535330D+01 -0.523155D+01  0.216824D+02
      2   0.620106D+01 -0.198180D+01  0.621261D+01 -0.561815D-01  0.408428D-01
      3   0.173254D+02  0.111282D+02 -0.859315D+00  0.528773D+01 -0.217232D+02
      4   0.300091D+01  0.333596D+01 -0.822524D+00  0.368660D+01  0.398577D+01
      5  -0.923497D+00  0.130607D+01  0.168002D+01  0.758511D+01  0.135426D+02
      6   0.467870D+01  0.341726D+01  0.217591D+01  0.711353D+01  0.104030D+02
                26            27            28            29            30 
      1  -0.871931D+01  0.740649D+01  0.165920D+02 -0.105142D+01  0.139115D+01
      2   0.194653D+01 -0.283323D+01 -0.255821D+01  0.498981D+01  0.478800D+00
      3   0.677279D+01 -0.457326D+01 -0.140338D+02 -0.393839D+01 -0.186995D+01
      4   0.269210D+01  0.652950D+01  0.243722D+02  0.128341D+01 -0.183092D+01
      5   0.507911D+01 -0.554021D+01  0.444220D+01 -0.133115D+01  0.643987D+01
      6   0.107666D+01  0.100745D+02  0.336444D+01 -0.114741D+01  0.442479D+01
                31            32            33            34            35 
      1  -0.152733D+01 -0.717514D+00  0.759574D+01 -0.766238D+01  0.993093D+01
      2   0.697716D+01  0.448607D+01 -0.241677D+01  0.120073D+01  0.164912D+01
      3  -0.544984D+01 -0.376856D+01 -0.517897D+01  0.646164D+01 -0.115800D+02
      4   0.142731D+02  0.268909D+00  0.171153D+01  0.115040D+02  0.501021D+01
      5   0.118043D+02  0.866508D+00  0.186902D+00 -0.179036D+02  0.207805D+01
      6  -0.812957D+00  0.370418D+01  0.557125D+01 -0.156331D+01  0.231389D+01
                36            37            38            39            40 
      1  -0.185346D+02  0.596282D+01 -0.126189D+02  0.205195D+02  0.361081D+01
      2   0.338555D+01  0.756296D+00  0.112273D+02 -0.119284D+02  0.479143D+01
      3   0.151491D+02 -0.671911D+01  0.139156D+01 -0.859103D+01 -0.840224D+01
      4   0.841508D+00 -0.101979D+02 -0.123423D+01  0.342889D+01  0.146528D+02
      5  -0.505530D+00  0.110552D+02  0.234933D+01 -0.108299D+02 -0.325332D+01
      6  -0.679120D+01 -0.620726D+00 -0.541492D+01  0.614742D+01 -0.502965D+00
                41            42            43            44            45 
      1  -0.103796D+02 -0.727743D+01 -0.171996D+02 -0.474423D+01  0.791945D+01
      2   0.159873D+02 -0.997125D+01  0.156340D+01 -0.242916D+01 -0.879888D+00
      3  -0.560762D+01  0.172487D+02  0.156362D+02  0.717339D+01 -0.703956D+01
      4   0.676722D+01 -0.283125D+01 -0.370569D+01 -0.136110D+01 -0.607296D+01
      5  -0.168922D+01 -0.114957D+01  0.657924D+01 -0.539380D+01  0.810123D+01
      6  -0.646331D+01  0.521992D+01 -0.910651D+01  0.431860D+00  0.826431D+01
                46            47            48            49            50 
      1  -0.551704D+01  0.998838D+01 -0.224461D+02 -0.181142D+01 -0.135548D+02
      2   0.165973D+01 -0.692972D+01  0.678921D+01 -0.752808D+01  0.226033D+02
      3   0.385732D+01 -0.305866D+01  0.156569D+02  0.933950D+01 -0.904848D+01
      4   0.116262D+02 -0.174487D-01  0.492968D+01  0.855869D+01 -0.716491D+01
      5  -0.106351D+02  0.524018D+01 -0.961092D+00  0.926363D+01  0.307685D+01
      6   0.378241D+01  0.391714D+01 -0.486806D+01 -0.111554D+01 -0.556050D+01
                51            52            53            54            55 
      1   0.587373D+01  0.335997D+02 -0.367939D+01  0.110521D+02 -0.276899D+02
      2  -0.117365D+02 -0.100134D+02 -0.578959D-01 -0.653088D+01  0.129874D+02
      3   0.586273D+01 -0.235863D+02  0.373729D+01 -0.452121D+01  0.147025D+02
      4   0.168015D+01 -0.435080D+01 -0.634405D+00  0.720123D+01 -0.799542D+01
      5   0.738968D+01  0.564785D+01  0.670899D+01 -0.484223D+01 -0.499566D+01
      6   0.379233D+01  0.108702D+02 -0.351647D+01  0.685301D+01  0.115699D+01
                56            57            58            59            60 
      1  -0.112719D+02 -0.569553D+01 -0.327217D+02 -0.242384D+02  0.118906D+01
      2   0.827373D+01  0.392577D+00  0.238433D+02  0.552435D+01  0.589402D+01
      3   0.299815D+01  0.530295D+01  0.887844D+01  0.187140D+02 -0.708308D+01
      4  -0.259115D+02  0.113465D+01 -0.453983D+02  0.131028D+02 -0.147204D+02
      5   0.809746D+00 -0.113146D+02 -0.741542D+00 -0.141422D+02  0.137147D+02
      6   0.297223D+00  0.172494D+01  0.583310D+00  0.388135D+01 -0.463852D+01
                61            62            63            64            65 
      1  -0.153937D+02  0.360320D+00 -0.157974D+01 -0.805485D+02  0.292105D+02
      2  -0.106507D+01  0.788931D+01  0.673320D+01  0.438162D+02 -0.134898D+02
      3   0.164588D+02 -0.824963D+01 -0.515346D+01  0.367323D+02 -0.157208D+02
      4  -0.904658D+00 -0.193892D+02  0.235217D+02  0.281928D+02  0.223031D+02
      5  -0.226254D+02  0.203617D+02  0.346695D+02  0.242650D+02 -0.296411D+01
      6   0.101185D+02 -0.514008D+01 -0.110662D+02  0.778789D+00 -0.294799D+01
                66            67            68            69            70 
      1   0.239242D+02  0.608143D+02  0.236136D+02 -0.743447D+01  0.352641D+02
      2  -0.134981D+02 -0.287250D+02 -0.116379D+02  0.761937D+01 -0.146778D+02
      3  -0.104261D+02 -0.320893D+02 -0.119757D+02 -0.184897D+00 -0.205863D+02
      4  -0.172533D+01  0.294955D+02  0.741234D+01  0.223347D+02  0.306803D+01
      5   0.511277D+01 -0.209821D+01  0.235472D+02 -0.190233D+02 -0.882030D+00
      6   0.132835D+01  0.151706D+01  0.613728D+01 -0.399336D+01 -0.264710D+01
                71            72            73            74            75 
      1  -0.335866D+01  0.177831D+01  0.354381D+02 -0.226234D+02 -0.192466D+02
      2   0.715313D+01 -0.408446D+00 -0.183739D+02  0.533797D+01  0.103253D+02
      3  -0.379447D+01 -0.136986D+01 -0.170643D+02  0.172854D+02  0.892127D+01
      4   0.216074D+02 -0.151065D+02 -0.211947D+02 -0.303058D+02 -0.509948D+01
      5  -0.155573D+02 -0.311645D+02 -0.113601D+02 -0.724206D+01 -0.162311D+02
      6  -0.483310D+01 -0.464422D+01 -0.140298D+02 -0.873899D+01 -0.129824D+00
                76            77            78            79            80 
      1  -0.298229D+02 -0.263207D+02 -0.140340D+01 -0.226168D+02  0.113090D+01
      2   0.735442D+01  0.176511D+02 -0.107379D+02  0.107693D+02 -0.107402D+02
      3   0.224684D+02  0.866966D+01  0.121413D+02  0.118475D+02  0.960932D+01
      4  -0.391063D+02 -0.944014D+01 -0.351127D+02 -0.198953D+01 -0.261301D+02
      5  -0.821795D+01 -0.413252D+02  0.200770D+02 -0.907592D+01  0.182239D+02
      6  -0.139401D+02 -0.460528D+01 -0.101948D+02  0.195063D+01 -0.828911D+01
                81            82            83            84            85 
      1  -0.933551D+01  0.338615D+02 -0.211453D+02 -0.124498D+02 -0.314545D+02
      2  -0.121672D+01 -0.339871D+02  0.785951D-01  0.627265D+01  0.247395D+01
      3   0.105522D+02  0.125575D+00  0.210667D+02  0.617720D+01  0.289805D+02
      4   0.159094D+02 -0.182732D+02 -0.374914D+02 -0.813230D+00 -0.397218D+02
      5   0.151966D+02 -0.147443D+02  0.579090D+01 -0.396586D+01  0.410135D+01
      6   0.123506D+02  0.611113D+00  0.431698D+01 -0.270701D+01  0.290058D+01
                86            87            88            89            90 
      1  -0.273457D+02  0.848680D+01 -0.140239D+02  0.243513D+01  0.169897D+01
      2   0.154974D+01 -0.650335D+01  0.176024D+01 -0.727135D+01  0.216206D+02
      3   0.257960D+02 -0.198346D+01  0.122637D+02  0.483621D+01 -0.233196D+02
      4  -0.294348D+02 -0.149994D+02 -0.105784D+02 -0.217255D+02  0.998659D+01
      5  -0.128295D+02  0.187945D+02 -0.260951D+01  0.129087D+02  0.456309D+02
      6  -0.676021D+01  0.101159D+02 -0.103680D+01  0.960241D+01  0.104936D+02
                91            92            93            94            95 
      1   0.107511D+02 -0.568417D+01 -0.215212D+01 -0.117833D+02 -0.155603D+02
      2  -0.832105D+01 -0.110300D+01 -0.539867D+00  0.591025D+01  0.657555D+01
      3  -0.243009D+01  0.678717D+01  0.269198D+01  0.587308D+01  0.898475D+01
      4  -0.212924D+02 -0.129560D+02 -0.710616D+01 -0.363606D+02  0.146378D+02
      5  -0.751263D+01 -0.638836D+01 -0.808383D+01 -0.123989D+02 -0.190942D+01
      6  -0.420014D+01 -0.202808D+01 -0.397119D+01 -0.213615D+01 -0.452911D+01
                96            97            98            99           100 
      1  -0.680684D+01 -0.157057D+02 -0.871190D+01 -0.139741D+01 -0.570449D+01
      2   0.455651D+00  0.381807D+00 -0.784066D+00  0.737258D+01  0.405842D+00
      3   0.635119D+01  0.153239D+02  0.949597D+01 -0.597517D+01  0.529865D+01
      4  -0.142213D+01 -0.179096D+02 -0.121030D+02 -0.152250D+02  0.136622D+02
      5  -0.126276D+02 -0.143195D+02 -0.141591D+02  0.287695D+02 -0.160549D+02
      6  -0.236052D+01 -0.732507D+01 -0.262680D+01  0.849646D+01  0.542225D+01
               101           102           103           104           105 
      1   0.609903D+01 -0.751911D+01  0.194061D+02  0.250503D+01  0.970998D+01
      2   0.128044D+00  0.544119D+01 -0.133935D+02  0.200569D+01 -0.268154D+01
      3  -0.622707D+01  0.207792D+01 -0.601258D+01 -0.451072D+01 -0.702844D+01
      4  -0.393419D+01  0.713522D+01 -0.399175D+01 -0.129444D+02 -0.380931D+01
      5   0.623748D+01 -0.283860D+01  0.782302D+01 -0.347911D+01  0.244110D+02
      6  -0.585003D+01  0.555932D+01 -0.170217D+01 -0.135119D+01 -0.157849D+02
               106           107           108           109           110 
      1  -0.225819D+02  0.991307D+01 -0.402612D+01  0.424739D+02 -0.126816D+02
      2   0.774450D+01  0.359856D+01  0.257073D+01 -0.195578D+02  0.339323D+01
      3   0.148374D+02 -0.135116D+02  0.145539D+01 -0.229161D+02  0.928836D+01
      4   0.200710D+02 -0.195601D+02  0.202144D+02 -0.249696D+02  0.212079D+02
      5  -0.187091D+02  0.180342D+02 -0.227365D+02  0.296460D+02 -0.621497D+01
      6   0.108803D+02 -0.179282D+02  0.589942D+01 -0.112064D+02  0.413602D+01
               111           112           113           114           115 
      1   0.229246D+02 -0.159637D+02  0.321282D+01 -0.163029D+01  0.378852D+02
      2  -0.134889D+02  0.237033D+01  0.910017D+01 -0.163618D+01 -0.179115D+02
      3  -0.943572D+01  0.135934D+02 -0.123130D+02  0.326646D+01 -0.199738D+02
      4  -0.103422D+02  0.257774D+02 -0.245500D+02  0.175191D+02 -0.243823D+02
      5   0.217742D+02 -0.120245D+02  0.167885D+02 -0.196693D+02  0.339708D+02
      6  -0.770786D+01  0.610543D+01 -0.118144D+02  0.181215D+02 -0.113047D+02
               116           117           118           119           120 
      1  -0.326667D+01  0.967024D+01 -0.289239D+00 -0.942097D+01 -0.119408D+02
      2  -0.529401D+01 -0.136840D+02 -0.276327D+01  0.116105D+02  0.739127D+01
      3   0.856068D+01  0.401379D+01  0.305251D+01 -0.218948D+01  0.454949D+01
      4   0.323912D+02 -0.184999D+02  0.120223D+01 -0.518311D+01  0.337848D+01
      5  -0.168057D+02  0.560779D+02 -0.718177D+01 -0.109818D+01  0.560994D+01
      6   0.165947D+02 -0.277420D+02  0.362038D+01  0.544771D+01  0.158905D+01
               121           122           123           124           125 
      1  -0.507442D+01 -0.330662D+01 -0.529558D+01 -0.121515D+02 -0.839536D+01
      2   0.126334D+02 -0.174781D+02  0.150535D+01  0.655319D+01  0.794558D+01
      3  -0.755900D+01  0.207847D+02  0.379024D+01  0.559832D+01  0.449778D+00
      4  -0.800335D+01  0.402084D+02 -0.224069D+01  0.120358D+02 -0.161063D+02
      5   0.164353D+01 -0.164081D+01 -0.476074D+01  0.159700D+02 -0.161010D+02
      6   0.302105D+01  0.874355D+00  0.103789D+02 -0.580383D+01  0.202645D+02
               126           127           128           129           130 
      1  -0.103373D+02 -0.215989D+00  0.578292D+00  0.282429D+01 -0.215272D+01
      2  -0.630588D+01 -0.522729D+01 -0.147951D+01  0.554511D+01 -0.653564D+00
      3   0.166432D+02  0.544328D+01  0.901220D+00 -0.836940D+01  0.280628D+01
      4  -0.142427D+02  0.138183D+01  0.240554D+01 -0.617589D+00  0.139924D+01
      5  -0.315735D+02 -0.887425D+01 -0.228031D+01  0.114110D+02 -0.225630D+01
      6   0.227011D+02  0.474097D+00 -0.153937D+01 -0.125266D+01 -0.112127D+01
               131           132           133           134           135 
      1  -0.290033D+01  0.707360D+01  0.310353D+01  0.372066D+01 -0.220187D+02
      2  -0.595089D+00  0.314017D+01  0.702497D+01  0.235794D+01 -0.155633D+02
      3   0.349542D+01 -0.102138D+02 -0.101285D+02 -0.607860D+01  0.375820D+02
      4   0.100063D+01 -0.135222D+01 -0.205851D+01 -0.350680D+01  0.239556D+01
      5  -0.247883D+01  0.366658D+01  0.121795D+02  0.408266D+01 -0.194523D+02
      6  -0.266735D+01  0.174542D+01  0.554151D+00  0.533743D+01 -0.101896D+01
               136           137           138           139           140 
      1   0.291717D+01  0.385626D+00 -0.185496D+01  0.745150D+00 -0.183808D+01
      2  -0.526307D+01  0.832967D+00 -0.418815D+01  0.211273D+01 -0.396220D+00
      3   0.234591D+01 -0.121859D+01  0.604311D+01 -0.285788D+01  0.223430D+01
      4  -0.157809D+01  0.356619D+01 -0.102135D+01  0.234787D+01 -0.277112D+01
      5   0.106064D+02 -0.291534D+01  0.950490D+01 -0.449970D+01  0.326950D+01
      6  -0.459428D+00  0.185879D+01 -0.941681D+00  0.624203D+00 -0.291648D+01
               141           142           143           144           145 
      1   0.497108D+01 -0.260967D+01  0.385899D+01 -0.120984D+02 -0.288087D+01
      2   0.241046D+01 -0.547283D+01  0.120364D+01 -0.833667D+01 -0.252301D+01
      3  -0.738153D+01  0.808251D+01 -0.506263D+01  0.204351D+02  0.540388D+01
      4   0.106542D+01 -0.196903D+01  0.306419D+01 -0.205022D+01  0.517750D+01
      5  -0.593469D+01  0.119069D+02 -0.428005D+01  0.147555D+02 -0.851391D+01
      6   0.219375D+01 -0.198360D+01  0.491506D+01 -0.342712D+01 -0.569349D+01
               146           147           148           149           150 
      1  -0.171416D+01  0.561097D+01 -0.234088D+01 -0.472495D+01  0.861018D+01
      2   0.363746D+00  0.285861D+01 -0.444220D+00  0.133558D+01  0.369020D+00
      3   0.135041D+01 -0.846958D+01  0.278510D+01  0.338937D+01 -0.897920D+01
      4   0.356186D+01 -0.534233D+01  0.216970D+01  0.175920D+01 -0.265414D+01
      5  -0.326965D+01  0.112217D+02 -0.287423D+01 -0.241619D+01  0.349753D+01
      6  -0.349815D+01  0.624262D+01 -0.277256D+01 -0.550901D+01  0.889248D+01
               151           152           153           154           155 
      1   0.709781D+01  0.108449D+02 -0.285096D+02  0.295636D+01  0.251872D+01
      2   0.192187D+01 -0.331213D+01 -0.533039D+01 -0.215797D+01 -0.317307D+01
      3  -0.901968D+01 -0.753280D+01  0.338399D+02 -0.798395D+00  0.654343D+00
      4  -0.590281D+01 -0.502900D+01  0.789546D+01 -0.105842D+02  0.806997D+01
      5   0.103816D+02  0.490512D+01 -0.162359D+02  0.152679D+02 -0.576863D+01
      6   0.833865D+01  0.129644D+02 -0.237306D+02 -0.846622D+01  0.609971D+01
               156           157           158           159           160 
      1  -0.119389D+01 -0.256652D-01 -0.394330D+01  0.479592D+01 -0.349492D+01
      2  -0.143890D+01  0.550025D+00  0.250365D+01 -0.479817D+00 -0.150539D+01
      3   0.263278D+01 -0.524360D+00  0.143964D+01 -0.431610D+01  0.500032D+01
      4  -0.812839D+01  0.567192D+01 -0.612229D+01  0.608064D+01 -0.867991D+01
      5   0.133727D+02 -0.751192D+01  0.529988D+01 -0.863276D+01  0.145578D+02
      6  -0.845467D+01  0.563157D+01 -0.667514D+01  0.889148D+01 -0.101899D+02
               161           162           163           164           165 
      1   0.803625D+01 -0.133003D+02  0.801301D+01 -0.207172D+01 -0.792500D+01
      2  -0.481267D+01 -0.128987D+01 -0.708085D+01  0.561205D+00  0.590959D+01
      3  -0.322358D+01  0.145902D+02 -0.932155D+00  0.151051D+01  0.201541D+01
      4   0.782588D+01 -0.104051D+02 -0.531763D+01  0.928590D+01  0.596808D+01
      5  -0.770769D+01  0.191803D+02 -0.145269D+02  0.424807D+01  0.148069D+02
      6   0.120848D+02 -0.180184D+02  0.425285D+01 -0.175755D+01 -0.308057D+01
               166           167           168           169           170 
      1   0.424791D+01  0.941831D+00 -0.262137D+01 -0.150896D+02 -0.451444D+01
      2  -0.317235D+01  0.511574D+00  0.109721D+01  0.132764D+02  0.788426D+00
      3  -0.107556D+01 -0.145340D+01  0.152417D+01  0.181313D+01  0.372601D+01
      4   0.109679D+02 -0.908572D+01 -0.856468D+01  0.119676D+02 -0.141960D+02
      5   0.423915D+01 -0.864609D+01 -0.908549D+01  0.266564D+02 -0.175677D+02
      6  -0.308300D+01  0.592940D+01  0.890768D+01 -0.893744D+01  0.116597D+02
               171           172           173           174           175 
      1  -0.476240D+01  0.188189D+02 -0.927566D+01  0.593708D+01 -0.110485D+02
      2  -0.115777D+02 -0.351342D+01 -0.743893D+00 -0.154202D+01 -0.351857D+01
      3   0.163401D+02 -0.153055D+02  0.100196D+02 -0.439506D+01  0.145671D+02
      4  -0.207094D+02 -0.212090D+02  0.240936D+02 -0.499372D+01  0.315118D+02
      5  -0.481966D+02  0.805034D+01 -0.295407D+01  0.706450D+01 -0.418362D+01
      6   0.190213D+02 -0.251969D+01  0.224394D+00 -0.170583D+01  0.157170D+01
               176           177           178           179           180 
      1   0.339883D+01 -0.424587D+00  0.172169D+02 -0.201198D+00  0.210074D+01
      2   0.174967D+02 -0.405868D+01 -0.449337D+01 -0.699102D+01  0.371908D+00
      3  -0.208955D+02  0.448327D+01 -0.127236D+02  0.719222D+01 -0.247265D+01
      4  -0.450982D+02  0.109363D+02 -0.140050D+02  0.217759D+02 -0.127403D+02
      5   0.975699D+01 -0.847998D+01  0.928659D+01 -0.110968D+02  0.699362D+01
      6  -0.343848D+01  0.523009D+01 -0.383939D+01  0.571177D+01 -0.373826D+01
               181           182           183           184           185 
      1   0.135861D+03 -0.171410D+02 -0.171764D+02 -0.258613D+02  0.133685D+02
      2  -0.692706D+02  0.893243D+01  0.866383D+01  0.128540D+02 -0.507526D+01
      3  -0.665906D+02  0.820861D+01  0.851254D+01  0.130073D+02 -0.829326D+01
      4  -0.137611D+02  0.139006D+02  0.181938D+01  0.164151D+02 -0.869704D+01
      5  -0.206918D+02  0.254513D+01  0.171520D+02  0.254611D+01 -0.636991D+01
      6   0.970051D+00 -0.126281D+01  0.115635D+01 -0.149965D+01  0.236161D-01
               186           187           188           189           190 
      1   0.298088D+01 -0.204053D+02  0.209908D+01  0.163146D+02  0.334590D+02
      2  -0.210624D+01  0.115430D+02 -0.196992D+01 -0.100895D+02 -0.150008D+02
      3  -0.874638D+00  0.886232D+01 -0.129166D+00 -0.622513D+01 -0.184582D+02
      4  -0.583885D+01  0.578868D+00 -0.565949D+01 -0.550858D+00  0.318963D+02
      5  -0.101631D+01  0.225457D+02 -0.817765D+00 -0.526249D+01  0.262437D+02
      6   0.230192D+01  0.992420D-01  0.244762D+01  0.792238D+00  0.117278D+02
               191           192           193           194           195 
      1   0.200169D+02  0.130606D+02  0.257370D+02  0.153840D+02  0.628876D+01
      2  -0.550388D+01 -0.934838D+01 -0.758643D+01  0.154255D+01 -0.371971D+01
      3  -0.145131D+02 -0.371217D+01 -0.181506D+02 -0.169265D+02 -0.256905D+01
      4   0.299335D+02  0.128365D+02  0.377720D+02  0.449618D+02  0.220995D+02
      5   0.159826D+02  0.214891D+02  0.235645D+02  0.257737D+02  0.211161D+02
      6   0.108999D+02  0.764007D+01  0.142535D+02  0.190316D+02  0.139796D+02
               196           197           198           199           200 
      1   0.802007D+01  0.237422D+01  0.677711D+01  0.103458D+02 -0.643927D+01
      2  -0.648759D+01 -0.205664D+01 -0.568303D+01 -0.857911D+01  0.552763D+01
      3  -0.153248D+01 -0.317577D+00 -0.109408D+01 -0.176665D+01  0.911636D+00
      4   0.969419D+01  0.120547D+02  0.114149D+02 -0.717890D+01  0.126307D+02
      5   0.176702D+02  0.119408D+02  0.140858D+02  0.160852D+02 -0.785836D+01
      6   0.681037D+01  0.970355D+01  0.709851D+01 -0.162603D+01  0.429521D+01
               201           202           203           204           205 
      1   0.114634D+02 -0.124574D+02  0.660197D+01 -0.378324D+01  0.105708D+02
      2  -0.101873D+02  0.107229D+02 -0.826452D+01  0.137390D+02 -0.108117D+02
      3  -0.127612D+01  0.173450D+01  0.166255D+01 -0.995574D+01  0.240868D+00
      4  -0.565036D+01  0.136294D+02 -0.281345D+02  0.211175D+02 -0.574957D+01
      5   0.172707D+02 -0.159168D+02  0.238257D+02 -0.316608D+02  0.181487D+02
      6  -0.183006D+01  0.515706D+01 -0.126521D+02  0.932914D+01 -0.243390D+01
               206           207           208           209           210 
      1  -0.148147D+01  0.251503D+01 -0.470318D+02  0.852845D+01  0.132755D+02
      2   0.908246D+01 -0.168131D+02  0.230120D+02 -0.488444D+01 -0.157334D+01
      3  -0.760098D+01  0.142981D+02  0.240198D+02 -0.364400D+01 -0.117022D+02
      4   0.162882D+02 -0.169336D+02 -0.487421D+01 -0.362192D+01 -0.164451D+01
      5  -0.185430D+02  0.328462D+02 -0.105730D+02 -0.170481D+01 -0.827400D+01
      6   0.936533D+01 -0.761320D+01  0.515811D+01 -0.547516D+01 -0.654892D+01
               211           212           213           214           215 
      1   0.632708D+01 -0.821669D+01 -0.581719D+01  0.937909D+01 -0.379144D+01
      2  -0.309051D+01  0.488720D+01  0.340893D+01 -0.169204D+01  0.181177D+01
      3  -0.323657D+01  0.332949D+01  0.240826D+01 -0.768705D+01  0.197967D+01
      4   0.859831D+00  0.263082D+01  0.509556D+01 -0.745144D-01  0.351563D+01
      5   0.164892D-01  0.415207D+01  0.622944D+00  0.751457D+00 -0.111520D+01
      6  -0.248952D+01  0.369672D+01  0.492086D+01 -0.354638D+01  0.408171D+01
               216           217           218           219           220 
      1  -0.102159D+02 -0.381510D+02  0.160668D+02  0.111807D+01  0.161968D+02
      2   0.124963D+01  0.267613D+02 -0.148029D+02 -0.180783D+01 -0.996398D+01
      3   0.896629D+01  0.113897D+02 -0.126396D+01  0.689759D+00 -0.623285D+01
      4  -0.116698D+01 -0.896818D+01 -0.236930D+01  0.283633D+01  0.942102D+01
      5   0.278168D+01  0.102547D+02 -0.390146D+00 -0.587553D+01 -0.407678D+01
      6   0.222969D+01 -0.209136D+00  0.297391D+01 -0.474843D+01  0.148055D-01
               221           222           223           224           225 
      1  -0.678362D+01 -0.731437D+00  0.519993D+01 -0.315685D+01 -0.557654D+01
      2   0.112183D+02  0.863079D+00 -0.341861D+01  0.398157D+01  0.536293D+00
      3  -0.443464D+01 -0.131642D+00 -0.178132D+01 -0.824717D+00  0.504025D+01
      4   0.837883D+01 -0.196703D+00  0.114195D+01  0.362757D+01 -0.138452D+01
      5   0.113057D+01  0.260220D+00 -0.158031D+01  0.851588D-01 -0.238823D+01
      6  -0.195219D+01  0.126438D+01 -0.243229D+01  0.129836D+01 -0.251887D+00
               226           227           228           229           230 
      1   0.659012D+00  0.217615D+01 -0.784146D+01 -0.112356D+01  0.507963D+00
      2  -0.235090D+01  0.266521D+00  0.622029D+01  0.238510D+01 -0.171231D+01
      3   0.169189D+01 -0.244267D+01  0.162117D+01 -0.126154D+01  0.120435D+01
      4   0.302006D+01  0.625990D+01 -0.265819D+01  0.406874D+01 -0.292772D+00
      5  -0.973584D+01 -0.124794D+01  0.125827D+02  0.115765D+01 -0.521920D+01
      6  -0.247858D+01 -0.128275D+01  0.169100D+01 -0.779582D+00  0.532482D-01
               231           232           233           234           235 
      1  -0.225429D-01 -0.893554D+01  0.210088D+01 -0.127836D+02  0.257906D+02
      2  -0.461761D+01  0.848310D+01 -0.390497D+01 -0.236504D+02 -0.635282D+00
      3   0.464015D+01  0.452439D+00  0.180409D+01  0.364340D+02 -0.251553D+02
      4  -0.442062D+01 -0.531571D+01 -0.927704D+01  0.413156D+01  0.379716D+02
      5  -0.910339D+01  0.163250D+02  0.362335D+01 -0.656651D+02 -0.324538D+01
      6   0.320049D+01  0.414864D+01  0.788734D+01 -0.235749D+02 -0.278044D+01
               236           237           238           239           240 
      1   0.184840D+02  0.220321D+01  0.188751D+02  0.105498D+02 -0.162864D+00
      2   0.559163D+01  0.394565D-01  0.683885D+01  0.251093D+02  0.132545D+01
      3  -0.240757D+02 -0.224267D+01 -0.257139D+02 -0.356591D+02 -0.116259D+01
      4   0.418775D+02 -0.102019D+01  0.444825D+02  0.640771D+02 -0.561473D+00
      5  -0.495850D+01  0.935132D+01 -0.510367D+01 -0.395000D+01  0.711860D+01
      6  -0.451470D+01  0.534787D+01 -0.437978D+01 -0.736146D+01  0.610137D+01
               241           242           243           244           245 
      1   0.709690D+01  0.186417D+01  0.336722D+01  0.730141D+00  0.335182D+01
      2   0.112364D+00  0.518626D+01 -0.125480D+01 -0.391750D+01 -0.150472D+01
      3  -0.720926D+01 -0.705043D+01 -0.211242D+01  0.318736D+01 -0.184711D+01
      4   0.844303D+01  0.133080D+02  0.705320D+01  0.589822D+01  0.513932D+01
      5   0.684187D+01  0.552668D+01 -0.823049D+00 -0.112845D+02 -0.128970D+01
      6   0.397599D+01  0.424687D+01  0.619660D+00 -0.346913D+01 -0.375883D+00
               246           247           248           249           250 
      1  -0.635475D+01  0.414312D+01  0.329044D-01  0.213152D+01 -0.816217D+01
      2   0.496926D+01 -0.175986D+01 -0.609048D-01 -0.437785D+00  0.843713D+01
      3   0.138549D+01 -0.238326D+01  0.280004D-01 -0.169374D+01 -0.274960D+00
      4  -0.232137D+01  0.860324D+01  0.432212D+01 -0.698278D+01 -0.431126D+01
      5   0.116156D+02 -0.196951D+01 -0.700669D+01  0.821790D+01  0.164734D+02
      6   0.201850D+01 -0.162423D+01 -0.385243D+01  0.659193D+01  0.308065D+01
               251           252           253           254           255 
      1   0.221047D+01 -0.569720D+01 -0.784534D+02 -0.799100D+01  0.933638D+01
      2   0.530187D+00 -0.126328D+02  0.402365D+02  0.126662D+02 -0.582459D+01
      3  -0.274065D+01  0.183300D+02  0.382170D+02 -0.467517D+01 -0.351180D+01
      4  -0.104222D+02  0.879934D+01 -0.138569D+02  0.234732D+02  0.816669D+01
      5   0.736547D+01 -0.394753D+02  0.116786D+02  0.491517D+01  0.956946D+01
      6   0.615289D+01 -0.113299D+02  0.842997D+01  0.374266D+01  0.379883D+01
               256           257           258           259           260 
      1   0.142340D+02  0.339685D+02  0.570749D+00  0.269222D+02  0.187575D+01
      2  -0.618976D+00 -0.348316D+02 -0.344092D+00 -0.973752D+01  0.314259D+01
      3  -0.136151D+02  0.863114D+00 -0.226657D+00 -0.171847D+02 -0.501834D+01
      4   0.325588D+02 -0.161499D+02  0.104504D+02  0.201570D+02  0.175630D+02
      5   0.106566D+02  0.131834D+02  0.123392D+02  0.150184D+02  0.110858D+02
      6   0.648436D+01  0.377468D+01  0.636402D+01  0.741979D+01  0.692826D+01
               261           262           263           264           265 
      1   0.124907D+02  0.305701D+01 -0.578102D+01 -0.125132D+01 -0.323793D+01
      2   0.597228D+01  0.361220D+01 -0.325461D+01 -0.329896D+00 -0.776014D+01
      3  -0.184630D+02 -0.666920D+01  0.903563D+01  0.158121D+01  0.109981D+02
      4   0.143221D+02 -0.119717D+02  0.182714D+02  0.375547D+01  0.225957D+02
      5  -0.259778D+02 -0.431555D+01  0.504139D+01  0.324934D+01  0.595493D+01
      6  -0.795200D+01  0.321526D+01 -0.378917D+01 -0.148681D+01 -0.510623D+01
               266           267           268           269           270 
      1  -0.141040D+02 -0.395430D+01  0.325199D+00  0.424976D+00 -0.187216D+01
      2   0.406003D+02  0.570259D+01  0.236500D+01 -0.752005D+01  0.176780D+01
      3  -0.264963D+02 -0.174829D+01 -0.269020D+01  0.709507D+01  0.104361D+00
      4  -0.597100D+02 -0.117355D+02 -0.360489D+01  0.940942D+01 -0.311005D+01
      5  -0.138209D+02 -0.105990D+02  0.165680D+01 -0.294092D+01 -0.289811D+01
      6   0.177590D+02  0.876343D+01 -0.936993D+00  0.366813D+01  0.212967D+01
               271           272           273           274           275 
      1   0.124059D+03  0.109047D+02 -0.490014D+01 -0.494547D+01  0.672353D+01
      2  -0.585106D+02 -0.138659D+01  0.196703D+01  0.529401D+01 -0.320753D+00
      3  -0.655488D+02 -0.951812D+01  0.293311D+01 -0.348541D+00 -0.640277D+01
      4   0.439866D+02  0.187111D+02 -0.173896D+00  0.116033D+02  0.531947D+01
      5   0.294754D+01  0.125144D+01  0.129516D+02 -0.944273D+00 -0.182325D+01
      6  -0.117678D+01  0.121384D+01  0.389217D+01  0.220711D-01 -0.245339D+00
               276           277           278           279           280 
      1   0.232415D+00 -0.172913D+02 -0.149622D+01  0.936388D+01  0.349484D+00
      2  -0.327905D+00  0.738796D+01 -0.727487D+00 -0.664101D+01  0.297357D+01
      3   0.954896D-01  0.990339D+01  0.222371D+01 -0.272287D+01 -0.332305D+01
      4  -0.206786D+01 -0.789778D+01 -0.547907D+01  0.219916D+01  0.311884D+01
      5  -0.153643D+01  0.130920D+02  0.206398D+00 -0.108432D+01 -0.232349D+01
      6  -0.102587D-01  0.351158D+01  0.711474D+00 -0.379618D+00 -0.915858D+00
               281           282           283           284           285 
      1   0.128795D+02 -0.131381D+01  0.108469D+02 -0.307605D+02 -0.380489D+00
      2  -0.138257D+02  0.922282D+00 -0.427255D+01  0.516613D+02 -0.664023D+00
      3   0.946218D+00  0.391527D+00 -0.657440D+01 -0.209008D+02  0.104451D+01
      4  -0.695998D+01 -0.190777D+01  0.991020D+01  0.511897D+02 -0.514934D-01
      5  -0.208861D+00 -0.258586D+01  0.130437D+01 -0.241980D+01  0.600965D+01
      6  -0.142173D+01 -0.227849D+01  0.441410D-01  0.453923D+01  0.670294D+01
               286           287           288           289           290 
      1  -0.520757D+01  0.135599D+01 -0.544451D+01  0.534177D+01  0.495425D+00
      2   0.165052D+01 -0.483960D+01  0.429479D+01 -0.563492D+01 -0.151932D+01
      3   0.355705D+01  0.348361D+01  0.114972D+01  0.293153D+00  0.102389D+01
      4  -0.446092D+01 -0.821172D+01  0.348035D+01 -0.849570D+00 -0.281836D+01
      5   0.449550D-01  0.462103D+01  0.432036D+00  0.350781D+01 -0.126529D+01
      6  -0.519026D+00  0.627131D+01 -0.483253D+00  0.204817D+00 -0.140864D+01
               291           292           293           294           295 
      1   0.555272D+01 -0.582080D+01 -0.569165D+01 -0.629951D+00  0.109931D+02
      2  -0.227920D+01  0.233068D+01  0.303549D+01  0.315806D+01 -0.682571D+01
      3  -0.327353D+01  0.349012D+01  0.265616D+01 -0.252811D+01 -0.416738D+01
      4   0.201254D+00 -0.343084D+01 -0.265738D+01  0.248849D+01  0.610893D+01
      5   0.849316D+00 -0.262217D+01  0.233793D+01 -0.544619D+01  0.105441D+02
      6  -0.972884D+00 -0.807167D+00  0.319356D-01  0.146319D+01  0.234290D+01
               296           297 
      1  -0.104088D+01 -0.110508D+02
      2   0.339320D+01 -0.133190D+02
      3  -0.235233D+01  0.243699D+02
      4   0.977897D+01  0.664547D+00
      5   0.153678D+01  0.434761D+02
      6   0.480652D+01  0.167024D+02
 Leave Link  716 at Wed Sep  8 14:24:10 2021, MaxMem=  6442450944 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.207369D+03 -0.113454D+01  0.170367D+01
      2  -0.113454D+01  0.136014D+03 -0.783703D+01
      3   0.170367D+01 -0.783703D+01  0.151684D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.100328D+02 -0.786428D+01  0.227531D+02
      2   0.244456D+01 -0.725486D+01  0.474925D+02
      3  -0.111326D+03 -0.330819D+02  0.138101D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.151688D+03  0.499114D+02 -0.242718D+02
      2  -0.857354D+02 -0.296186D+02  0.353925D+02
      3  -0.659523D+02 -0.202927D+02 -0.111207D+02
      4  -0.310222D+02  0.667313D+02 -0.153846D+02
      5  -0.276114D+02 -0.221304D+02  0.105499D+03
      6   0.159397D+01  0.197421D+02 -0.289960D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.110021D+02  0.206021D-02  0.693420D+00  0.531232D+01  0.196115D+01
      2   0.206021D-02  0.884096D+00 -0.146729D+00  0.196115D+01  0.173611D+01
      3   0.693420D+00 -0.146729D+00  0.112525D+01 -0.489200D+00 -0.275246D+01
                 6             7             8             9            10 
      1  -0.489200D+00 -0.921011D+01  0.298466D+00 -0.132485D+00  0.288788D+02
      2  -0.275246D+01  0.298466D+00 -0.118367D+01 -0.904802D+00  0.158904D+01
      3  -0.221242D+01 -0.132485D+00 -0.904802D+00 -0.200601D+01 -0.125787D+01
                11            12            13            14            15 
      1   0.158904D+01 -0.125787D+01 -0.972183D+00  0.366086D+01  0.159307D+01
      2   0.168727D+01 -0.698608D+00  0.366086D+01 -0.142613D+01 -0.940355D-01
      3  -0.698608D+00  0.281459D+01  0.159307D+01 -0.940355D-01 -0.928101D+00
                16            17            18            19            20 
      1  -0.324900D+01  0.173096D+01  0.108946D+01  0.805050D+01 -0.291830D+00
      2   0.173096D+01  0.134757D+00 -0.982579D+00 -0.291830D+00 -0.817885D+00
      3   0.108946D+01 -0.982579D+00 -0.223248D+00 -0.616842D+00 -0.367838D+00
                21            22            23            24            25 
      1  -0.616842D+00  0.361008D+01 -0.162514D+01 -0.108887D+01 -0.128123D+02
      2  -0.367838D+00 -0.162514D+01  0.254129D+01 -0.215306D+01  0.115264D+00
      3  -0.290740D+01 -0.108887D+01 -0.215306D+01 -0.101900D+01  0.210901D+00
                26            27            28            29            30 
      1   0.115264D+00  0.210901D+00 -0.263780D+02 -0.188121D+00  0.112282D+01
      2  -0.764369D+00 -0.724821D+00 -0.188121D+00 -0.133322D+01  0.230155D+00
      3  -0.724821D+00 -0.142497D+01  0.112282D+01  0.230155D+00 -0.258864D+01
                31            32            33            34            35 
      1   0.265613D+01 -0.478271D+01 -0.161158D+01  0.306110D+01 -0.148455D+01
      2  -0.478271D+01  0.759924D+00  0.471915D+00 -0.148455D+01  0.151173D+00
      3  -0.161158D+01  0.471915D+00  0.105669D+00 -0.532200D+00 -0.759650D+00
                36            37            38            39            40 
      1  -0.532200D+00  0.122062D+02 -0.697946D+00 -0.104039D+01 -0.421478D+01
      2  -0.759650D+00 -0.697946D+00 -0.209613D+01  0.142105D+01 -0.158326D+01
      3   0.685795D+00 -0.104039D+01  0.142105D+01 -0.165800D+01  0.158413D+00
                41            42            43            44            45 
      1  -0.158326D+01  0.158413D+00  0.103947D+02 -0.173546D+01  0.263898D+00
      2  -0.257070D+01  0.242040D+01 -0.173546D+01  0.110686D+01  0.125534D+01
      3   0.242040D+01  0.207359D+01  0.263898D+00  0.125534D+01  0.179760D+01
                46            47            48            49            50 
      1  -0.894090D+01  0.763448D+00  0.893194D+00 -0.196139D+01  0.151265D+01
      2   0.763448D+00  0.137384D+01 -0.633312D+00  0.151265D+01 -0.360833D+01
      3   0.893194D+00 -0.633312D+00  0.313337D+01  0.178410D+01  0.208734D+01
                51            52            53            54            55 
      1   0.178410D+01  0.126745D+02  0.123711D+01 -0.618868D+00 -0.133963D+02
      2   0.208734D+01  0.123711D+01 -0.203076D+00  0.136176D+01 -0.290444D+01
      3   0.901563D+00 -0.618868D+00  0.136176D+01  0.821539D+00 -0.517330D+00
                56            57            58            59            60 
      1  -0.290444D+01 -0.517330D+00 -0.641651D+01 -0.676783D+01 -0.366038D+00
      2  -0.361155D+01  0.666828D-01 -0.676783D+01  0.399037D+00 -0.195305D+01
      3   0.666828D-01 -0.142349D+01 -0.366038D+00 -0.195305D+01  0.172165D+01
                61            62            63            64            65 
      1  -0.169824D+01 -0.572329D+00 -0.300577D+01 -0.364756D+01  0.434313D+01
      2  -0.572329D+00 -0.260683D+01  0.260104D+01  0.434313D+01  0.284942D+01
      3  -0.300577D+01  0.260104D+01  0.456519D+01  0.238179D+01 -0.293077D+00
                66            67            68            69            70 
      1   0.238179D+01  0.122999D+02  0.485061D+01 -0.608173D-01  0.535020D+01
      2  -0.293077D+00  0.485061D+01  0.141164D+01  0.309747D+01  0.749117D+00
      3   0.504931D+00 -0.608173D-01  0.309747D+01 -0.232446D+01  0.945909D-01
                71            72            73            74            75 
      1   0.749117D+00  0.945909D-01  0.305373D+01 -0.316790D+01 -0.238658D+01
      2   0.325820D+01 -0.209264D+01 -0.316790D+01 -0.318567D+01 -0.302300D-01
      3  -0.209264D+01 -0.402827D+01 -0.238658D+01 -0.302300D-01 -0.120040D+01
                76            77            78            79            80 
      1  -0.463884D+01 -0.417055D+01 -0.265961D-01 -0.290101D+01  0.180348D+00
      2  -0.417055D+01 -0.769942D+00 -0.406175D+01  0.180348D+00 -0.311570D+01
      3  -0.265961D-01 -0.406175D+01  0.250023D+01 -0.224619D+00  0.220940D+01
                81            82            83            84            85 
      1  -0.224619D+00  0.294274D+01 -0.384473D+01 -0.141988D+01 -0.597534D+01
      2   0.220940D+01 -0.384473D+01 -0.364699D+01  0.312107D+00 -0.395592D+01
      3   0.258247D+01 -0.141988D+01  0.312107D+00 -0.805782D+00 -0.865175D-01
                86            87            88            89            90 
      1  -0.395592D+01 -0.865175D-01 -0.209172D+01 -0.883424D+00 -0.605008D+00
      2  -0.241267D+01 -0.236104D+01 -0.883424D+00 -0.305864D+01  0.174744D+01
      3  -0.236104D+01  0.254701D+01 -0.605008D+00  0.174744D+01  0.576915D+01
                91            92            93            94            95 
      1   0.385477D+01  0.264228D+01  0.412179D+00 -0.277390D+00  0.535445D+01
      2   0.264228D+01  0.153404D+01  0.884047D+00  0.535445D+01 -0.334571D+01
      3   0.412179D+00  0.884047D+00  0.134573D+01  0.180739D+01 -0.819537D-01
                96            97            98            99           100 
      1   0.180739D+01  0.352479D+01  0.164782D+01  0.184701D+01  0.288762D+01
      2  -0.819537D-01  0.164782D+01  0.166804D+01  0.188098D+01 -0.187228D+01
      3   0.142048D+01  0.184701D+01  0.188098D+01 -0.411479D+01  0.157042D+01
               101           102           103           104           105 
      1  -0.187228D+01  0.157042D+01 -0.196620D+01 -0.424534D+00 -0.136450D+01
      2   0.513339D+00 -0.866187D+00 -0.424534D+00  0.294312D+01  0.194080D+00
      3  -0.866187D+00  0.373204D+00 -0.136450D+01  0.194080D+00 -0.197631D+01
               106           107           108           109           110 
      1   0.261619D+01 -0.250528D+01  0.125792D+01 -0.542361D+01  0.216989D+01
      2  -0.250528D+01  0.204904D+01 -0.240926D+01  0.216989D+01 -0.165024D+01
      3   0.125792D+01 -0.240926D+01  0.287868D+01 -0.336838D+01  0.684706D+00
               111           112           113           114           115 
      1  -0.336838D+01  0.319469D+01 -0.249887D+01  0.126100D+01 -0.750865D+01
      2   0.684706D+00 -0.249887D+01  0.290849D+01 -0.223054D+01  0.297458D+01
      3  -0.184624D+01  0.126100D+01 -0.223054D+01  0.217342D+01 -0.306716D+01
               116           117           118           119           120 
      1   0.297458D+01 -0.306716D+01  0.904549D+00  0.445720D-01  0.118374D+01
      2  -0.448142D+01  0.205363D+01  0.445720D-01  0.198629D+01  0.440860D+00
      3   0.205363D+01 -0.735226D+01  0.118374D+01  0.440860D+00  0.307170D+00
               121           122           123           124           125 
      1   0.208567D+00  0.194008D+01  0.153252D+00  0.331736D+01 -0.114243D+01
      2   0.194008D+01 -0.573261D+01  0.693228D+00 -0.114243D+01  0.286502D+01
      3   0.153252D+00  0.693228D+00  0.328333D+00 -0.911619D+00  0.251693D+01
               126           127           128           129           130 
      1  -0.911619D+00  0.186744D+01  0.593292D+00 -0.183067D+01  0.237549D+00
      2   0.251693D+01  0.593292D+00  0.290550D+00 -0.315619D+00  0.142279D+00
      3   0.457447D+01 -0.183067D+01 -0.315619D+00  0.195543D+01 -0.542492D+00
               131           132           133           134           135 
      1   0.142279D+00 -0.542492D+00 -0.221576D+01 -0.878227D+00  0.256302D+01
      2   0.379046D+00 -0.545313D+00 -0.878227D+00 -0.118601D+01  0.153216D+01
      3  -0.545313D+00  0.200743D+01  0.256302D+01  0.153216D+01 -0.692370D+01
               136           137           138           139           140 
      1  -0.341063D+01  0.964948D+00 -0.179153D+01  0.151703D+01 -0.569693D+00
      2   0.964948D+00 -0.778381D+00  0.603454D+00 -0.569693D+00  0.637103D+00
      3  -0.179153D+01  0.603454D+00 -0.173544D+01  0.112737D+01 -0.621822D+00
               141           142           143           144           145 
      1   0.112737D+01 -0.248333D+01  0.970591D+00 -0.236719D+01 -0.199735D+01
      2  -0.621822D+00  0.970591D+00 -0.127174D+01  0.142959D+01 -0.625072D+00
      3   0.175694D+01 -0.236719D+01  0.142959D+01 -0.432655D+01  0.200818D+01
               146           147           148           149           150 
      1  -0.625072D+00  0.200818D+01 -0.359440D+00 -0.175533D+00  0.622532D+00
      2  -0.364816D+00  0.607705D+00 -0.175533D+00 -0.610055D+00  0.798860D+00
      3   0.607705D+00 -0.222386D+01  0.622532D+00  0.798860D+00 -0.229650D+01
               151           152           153           154           155 
      1   0.204231D+01  0.100189D+01 -0.257691D+01  0.345923D+01 -0.110078D+01
      2   0.100189D+01  0.164763D+01 -0.239329D+01 -0.110078D+01  0.104013D+01
      3  -0.257691D+01 -0.239329D+01  0.721726D+01  0.239916D+01 -0.105588D+01
               156           157           158           159           160 
      1   0.239916D+01 -0.194676D+01  0.777716D+00 -0.137990D+01  0.244843D+01
      2  -0.105588D+01  0.777716D+00 -0.940502D+00  0.973504D+00 -0.122690D+01
      3   0.211826D+01 -0.137990D+01  0.973504D+00 -0.201332D+01  0.268089D+01
               161           162           163           164           165 
      1  -0.122690D+01  0.268089D+01  0.153503D+01 -0.357758D+00 -0.158904D+01
      2   0.176876D+01 -0.208163D+01 -0.357758D+00  0.873705D+00  0.402045D+00
      3  -0.208163D+01  0.460929D+01 -0.158904D+01  0.402045D+00  0.127854D+01
               166           167           168           169           170 
      1   0.103289D+01  0.142636D+01  0.426902D+00 -0.441402D+01  0.656234D+00
      2   0.142636D+01 -0.109718D+01 -0.120146D+01  0.656234D+00 -0.183413D+01
      3   0.426902D+00 -0.120146D+01 -0.129361D+01  0.284836D+01 -0.241462D+01
               171           172           173           174           175 
      1   0.284836D+01  0.324623D+01 -0.177639D+01  0.102634D+01 -0.263574D+01
      2  -0.241462D+01 -0.177639D+01  0.228972D+01 -0.339858D+00  0.309854D+01
      3  -0.655392D+01  0.102634D+01 -0.339858D+00  0.675324D+00 -0.505873D+00
               176           177           178           179           180 
      1   0.309854D+01 -0.505873D+00  0.423883D+01 -0.876311D+00  0.113274D+01
      2  -0.544649D+01  0.135841D+01 -0.876311D+00  0.265408D+01 -0.149403D+01
      3   0.135841D+01 -0.111380D+01  0.113274D+01 -0.149403D+01  0.897247D+00
               181           182           183           184           185 
      1   0.126987D+02 -0.148864D+01 -0.165170D+01 -0.309473D+01  0.113228D+01
      2  -0.148864D+01  0.120485D+01  0.215106D+00  0.113228D+01 -0.102368D+01
      3  -0.165170D+01  0.215106D+00  0.147239D+01  0.139541D+00 -0.697256D+00
               186           187           188           189           190 
      1   0.139541D+00 -0.231900D+01 -0.177143D-02  0.190172D+01  0.415324D+01
      2  -0.697256D+00 -0.177143D-02 -0.778241D+00  0.504469D-01  0.298289D+01
      3  -0.107543D+00  0.190172D+01  0.504469D-01 -0.337274D+00  0.214361D+01
               191           192           193           194           195 
      1   0.298289D+01  0.214361D+01  0.385857D+01  0.366554D+01  0.185178D+01
      2   0.283046D+01  0.122852D+01  0.366554D+01  0.484926D+01  0.248085D+01
      3   0.122852D+01  0.187681D+01  0.185178D+01  0.248085D+01  0.210016D+01
               196           197           198           199           200 
      1   0.129647D+01  0.886965D+00  0.149766D+01  0.120197D+01 -0.697322D+00
      2   0.886965D+00  0.132863D+01  0.117283D+01 -0.697322D+00  0.128942D+01
      3   0.149766D+01  0.117283D+01  0.128030D+01  0.149030D+01 -0.643601D+00
               201           202           203           204           205 
      1   0.149030D+01 -0.157035D+01  0.131210D+01 -0.130693D+01  0.156810D+01
      2  -0.643601D+00  0.131210D+01 -0.343000D+01  0.251803D+01 -0.664805D+00
      3   0.147912D+01 -0.130693D+01  0.251803D+01 -0.353154D+01  0.146675D+01
               206           207           208           209           210 
      1  -0.664805D+00  0.146675D+01 -0.719063D+01  0.142392D+00  0.605779D+00
      2   0.205369D+01 -0.205914D+01  0.142392D+00 -0.136550D+01 -0.824438D+00
      3  -0.205914D+01  0.367952D+01  0.605779D+00 -0.824438D+00 -0.206273D+01
               211           212           213           214           215 
      1   0.178008D-01 -0.827438D+00 -0.632848D+00  0.535286D+00 -0.475878D+00
      2  -0.827438D+00  0.765060D+00  0.795538D+00 -0.475878D+00  0.602235D+00
      3  -0.632848D+00  0.795538D+00  0.441662D+00 -0.947540D+00  0.126139D+00
               216           217           218           219           220 
      1  -0.947540D+00 -0.551892D+01  0.124688D+01  0.512745D+00  0.271506D+01
      2   0.126139D+00  0.124688D+01 -0.186945D+01  0.245161D+00  0.107688D-01
      3   0.101961D+01  0.512745D+00  0.245161D+00 -0.106211D+01 -0.128862D+00
               221           222           223           224           225 
      1   0.107688D-01 -0.128862D+00  0.743383D+00 -0.156850D+00 -0.481730D+00
      2   0.209766D+01  0.466756D-01 -0.156850D+00  0.674909D+00  0.133169D+00
      3   0.466756D-01  0.227110D+00 -0.481730D+00  0.133169D+00 -0.284695D+00
               226           227           228           229           230 
      1   0.332645D+00  0.426538D+00 -0.108015D+01  0.272562D-01  0.356590D+00
      2   0.426538D+00  0.577663D+00 -0.115932D+00  0.356590D+00 -0.110990D+00
      3  -0.108015D+01 -0.115932D+00  0.940308D+00  0.427918D-01 -0.647906D+00
               231           232           233           234           235 
      1   0.427918D-01 -0.151081D+01 -0.320242D+00  0.125165D+01  0.349846D+01
      2  -0.647906D+00 -0.320242D+00 -0.135043D+01  0.452540D+00  0.345407D+01
      3  -0.106853D+01  0.125165D+01  0.452540D+00 -0.866029D+01  0.380154D-01
               236           237           238           239           240 
      1   0.345407D+01  0.380154D-01  0.350901D+01  0.419982D+01 -0.130776D+00
      2   0.397092D+01 -0.204071D+00  0.419982D+01  0.708224D+01 -0.145858D-01
      3  -0.204071D+00  0.969483D+00 -0.130776D+00 -0.145858D-01  0.758600D+00
               241           242           243           244           245 
      1   0.105501D+01  0.773007D+00  0.785163D+00  0.324537D+00 -0.879862D+00
      2   0.773007D+00  0.157975D+01  0.661593D+00 -0.879862D+00 -0.453400D+00
      3   0.785163D+00  0.661593D+00 -0.985369D-01  0.132775D+01  0.692464D-01
               246           247           248           249           250 
      1   0.132775D+01 -0.127805D+01 -0.938461D+00  0.175288D+00  0.251809D+01
      2   0.692464D-01 -0.938461D+00 -0.574872D+00  0.108913D+01  0.219860D+00
      3  -0.110116D+01  0.175288D+00  0.108913D+01 -0.117996D+01 -0.187610D+01
               251           252           253           254           255 
      1   0.219860D+00 -0.187610D+01  0.759461D+01 -0.659134D+00 -0.181777D+01
      2   0.151074D+01 -0.104616D+01 -0.659134D+00 -0.323562D+01 -0.711000D+00
      3  -0.104616D+01  0.594098D+01 -0.181777D+01 -0.711000D+00 -0.100407D+01
               256           257           258           259           260 
      1  -0.474993D+01 -0.348264D+01 -0.116964D+01 -0.613981D+01 -0.149242D+01
      2  -0.348264D+01  0.381110D+01 -0.124929D+01 -0.149242D+01 -0.230729D+01
      3  -0.116964D+01 -0.124929D+01 -0.172393D+01 -0.148308D+01 -0.138729D+01
               261           262           263           264           265 
      1  -0.148308D+01 -0.895342D+00  0.137297D+01  0.481812D+00  0.153642D+01
      2  -0.138729D+01  0.137297D+01 -0.186339D+01 -0.452310D+00 -0.265018D+01
      3   0.365794D+01  0.481812D+00 -0.452310D+00 -0.392813D+00 -0.528622D+00
               266           267           268           269           270 
      1  -0.265018D+01 -0.528622D+00 -0.204481D+00  0.492713D+00 -0.190641D+00
      2   0.932609D+01  0.184858D+01  0.492713D+00 -0.136431D+01  0.532421D+00
      3   0.184858D+01  0.165486D+01 -0.190641D+00  0.532421D+00  0.507731D+00
               271           272           273           274           275 
      1  -0.146003D+02 -0.179398D+01  0.311215D+00  0.646179D+00 -0.101874D+01
      2  -0.179398D+01 -0.139772D+01 -0.128257D+00 -0.101874D+01 -0.444987D+00
      3   0.311215D+00 -0.128257D+00 -0.107603D+01  0.109768D+00  0.225326D+00
               276           277           278           279           280 
      1   0.109768D+00  0.231568D+01  0.462910D+00 -0.115780D+01  0.279337D-01
      2   0.225326D+00  0.462910D+00  0.626318D+00  0.918487D-02 -0.728819D+00
      3   0.260975D+00 -0.115780D+01  0.918487D-02  0.835292D-01  0.309407D+00
               281           282           283           284           285 
      1  -0.728819D+00  0.309407D+00 -0.151939D+01 -0.275637D+00 -0.292754D-01
      2   0.200810D+01  0.220641D+00 -0.275637D+00 -0.831704D+01 -0.147353D-01
      3   0.220641D+00  0.407050D+00 -0.292754D-01 -0.147353D-01 -0.917333D+00
               286           287           288           289           290 
      1   0.100984D+01  0.341869D+00  0.736677D-01 -0.317285D+00  0.336601D+00
      2   0.341869D+00  0.118633D+01 -0.736290D+00  0.336601D+00  0.466180D+00
      3   0.736677D-01 -0.736290D+00 -0.929822D-01 -0.543743D+00  0.195453D+00
               291           292           293           294           295 
      1  -0.543743D+00  0.119758D+01  0.345338D+00  0.196144D+00 -0.195206D+01
      2   0.195453D+00  0.345338D+00  0.214725D+00 -0.419078D+00 -0.322830D+00
      3   0.311210D+00  0.196144D+00 -0.419078D+00  0.726690D+00 -0.786687D+00
               296           297 
      1  -0.322830D+00 -0.786687D+00
      2  -0.136030D+01 -0.240386D+00
      3  -0.240386D+00 -0.614082D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.278070D+01 -0.187598D+01  0.181776D+01 -0.737486D+01 -0.195029D+01
      2   0.292671D+01 -0.272675D+01  0.953378D+01 -0.250892D+01  0.218437D+01
      3   0.182822D+02 -0.129662D+01  0.279284D+01  0.697225D+01 -0.192552D+01
                 6             7             8             9            10 
      1  -0.209495D+01 -0.547231D+00  0.179751D+01 -0.273994D+00 -0.371510D+01
      2  -0.360767D+01 -0.425725D+01 -0.109215D+01  0.283117D+01 -0.903303D+00
      3   0.278086D+01  0.143744D+02  0.328578D+00  0.237679D+01 -0.356208D+02
                11            12            13            14            15 
      1  -0.270695D+00  0.105592D+01  0.334239D+01  0.442475D+01 -0.899377D+01
      2   0.590719D+00 -0.272404D+01  0.445174D+01 -0.419357D+00  0.371666D+00
      3  -0.177166D+01  0.985236D+00  0.999729D+01 -0.162716D+01 -0.999685D+00
                16            17            18            19            20 
      1  -0.419831D+01 -0.152874D+01 -0.424960D+01 -0.104143D+01  0.104688D+01
      2  -0.223611D+02 -0.155705D+01 -0.380801D+01 -0.411112D+01 -0.196744D+01
      3  -0.345217D+00 -0.178335D+01 -0.302703D+00 -0.104731D+02 -0.168155D+01
                21            22            23            24            25 
      1  -0.156339D+01  0.589092D+01 -0.226698D+01 -0.347209D+01  0.517070D+01
      2   0.329286D+01 -0.423281D+01 -0.236643D+01  0.102027D+01 -0.141883D+01
      3   0.290345D+01  0.827134D+01  0.138921D+01 -0.256154D+01  0.180582D+02
                26            27            28            29            30 
      1   0.134277D+01 -0.193431D+01  0.216731D+01  0.874799D+00 -0.324201D+01
      2   0.644224D+00 -0.222526D+01  0.300385D+00  0.218986D+01 -0.355809D+01
      3  -0.724603D+00 -0.434330D+01  0.277144D+02  0.879802D+00 -0.284973D+01
                31            32            33            34            35 
      1  -0.163789D+01  0.470267D+01 -0.850862D+01 -0.572982D+01 -0.729256D+00
      2   0.518474D+01 -0.186383D+00  0.258955D+01 -0.242914D+02  0.339466D+01
      3   0.716159D+01  0.517668D+01  0.100898D+01 -0.694251D+01 -0.189997D+01
                36            37            38            39            40 
      1  -0.310765D+01 -0.321470D+01 -0.257541D-01 -0.116280D+01 -0.488556D+01
      2  -0.244385D+00 -0.165918D+01 -0.248323D+01  0.824141D+01 -0.357786D+01
      3   0.245502D+01 -0.142319D+02 -0.159890D+00  0.280786D+01  0.155058D+02
                41            42            43            44            45 
      1   0.175367D+01  0.983378D+00 -0.232622D+01  0.344817D+01  0.273171D+01
      2   0.171928D+01 -0.273420D+01 -0.653620D+01 -0.847966D+00  0.202572D+01
      3  -0.415770D+00  0.208286D+01 -0.976965D+01  0.347995D+01  0.158545D+01
                46            47            48            49            50 
      1   0.286628D+01  0.878129D+00  0.299785D+01  0.944856D+01  0.143726D+01
      2  -0.523925D+00 -0.197426D+01  0.316447D+01 -0.389688D+01 -0.182024D+01
      3   0.145327D+02 -0.191240D+01 -0.799397D+00  0.123015D+02  0.147126D+01
                51            52            53            54            55 
      1  -0.233001D+01  0.257818D+01  0.312096D+01  0.816970D-01  0.193913D+01
      2   0.119971D+01 -0.387648D+01  0.843995D+00 -0.316528D+00 -0.696650D+01
      3  -0.525217D+01 -0.131206D+02 -0.143958D+01 -0.177171D+01  0.233338D+02
                56            57            58            59            60 
      1   0.166714D+01 -0.124470D+00  0.390999D+01 -0.289134D+01  0.244489D+01
      2  -0.520447D+00 -0.258117D+01 -0.399223D+01 -0.116181D+02  0.759407D+01
      3   0.120919D+02 -0.219449D-01  0.385631D+02  0.840286D+01  0.784544D+01
                61            62            63            64            65 
      1  -0.470934D+00  0.751439D+01  0.414297D+01 -0.190483D+01 -0.915214D-01
      2  -0.192698D+02  0.849328D+01  0.151998D+02  0.116134D+02 -0.318048D+00
      3   0.395620D+01  0.105094D+02 -0.470213D+01 -0.273737D+02 -0.158451D+02
                66            67            68            69            70 
      1  -0.705753D+00 -0.321866D+01 -0.216631D+01 -0.297810D+01  0.261503D+01
      2   0.583713D+01  0.424478D+01  0.147438D+02 -0.106725D+02 -0.142553D+01
      3   0.180417D+01 -0.251543D+02 -0.733379D+01 -0.126579D+02 -0.579007D+01
                71            72            73            74            75 
      1   0.501799D+01  0.179380D+01 -0.179996D+01 -0.583660D+01  0.635148D+00
      2  -0.902896D+01 -0.167674D+02 -0.175285D+02  0.512015D+01  0.350668D+01
      3  -0.140881D+02  0.703757D+01  0.166218D+02  0.895656D+01 -0.249848D+01
                76            77            78            79            80 
      1  -0.831416D+01  0.191677D+01 -0.130290D+02  0.491503D+00 -0.629588D+01
      2   0.624943D+01 -0.100581D+02  0.107026D+02  0.331215D+01  0.917777D+01
      3   0.167397D+02  0.748104D+00  0.157560D+02 -0.267776D+01  0.123742D+02
                81            82            83            84            85 
      1   0.260211D+01  0.618900D+01  0.392942D+01  0.131133D+01  0.578832D+01
      2   0.122183D+02 -0.544880D+00 -0.369555D+01 -0.222887D+01 -0.709178D+01
      3  -0.897369D+01  0.238803D+02  0.394176D+01 -0.251194D+01  0.744714D+01
                86            87            88            89            90 
      1   0.858967D+01 -0.433317D+01  0.295752D+01  0.303380D+01 -0.149730D+02
      2  -0.137368D+02  0.101063D+02 -0.582164D+01  0.657159D+01  0.197902D+02
      3   0.103976D+01  0.980226D+01  0.529938D+00  0.108947D+02 -0.683802D+01
                91            92            93            94            95 
      1   0.623964D+00  0.183453D+00  0.190243D+01  0.205399D+01 -0.173581D+01
      2  -0.391410D+01 -0.325602D+01 -0.116252D+00 -0.406985D+01 -0.259828D+01
      3  -0.964276D+00 -0.971708D+00  0.271453D+01  0.303722D+02 -0.152622D+02
                96            97            98            99           100 
      1  -0.326805D+01  0.268066D+01  0.472262D+01 -0.126874D+01 -0.110864D+01
      2  -0.645049D+01 -0.150329D+02 -0.638861D+01  0.143901D+02  0.160538D+01
      3  -0.135577D+01  0.207307D+01  0.381539D+01  0.478459D+01  0.103749D+02
               101           102           103           104           105 
      1  -0.519134D+01 -0.489607D+01 -0.244055D+00 -0.152192D+00  0.252429D+01
      2   0.354231D+01  0.491366D+01  0.230158D+01  0.104536D+01  0.131368D+02
      3  -0.120770D+02 -0.477701D+01 -0.638309D+01  0.217996D+01  0.293528D+01
               106           107           108           109           110 
      1  -0.671678D+01  0.699602D+00 -0.381414D+01  0.422358D+01  0.273705D+01
      2  -0.334353D+01  0.962419D+01 -0.164746D+02  0.866196D+01 -0.261732D+01
      3  -0.100095D+02  0.131073D+02 -0.600399D+01 -0.404983D+00 -0.499019D+01
               111           112           113           114           115 
      1   0.397281D+01 -0.528183D+00  0.326454D+00 -0.679870D+01  0.416837D+01
      2   0.867132D+01 -0.638801D+00  0.734037D+01 -0.105103D+02  0.385384D+01
      3   0.533914D+00 -0.401846D+01  0.123014D+02 -0.753168D+01  0.106967D+02
               116           117           118           119           120 
      1   0.470486D+01  0.115594D+02 -0.341238D+01  0.267839D+01  0.835000D-01
      2  -0.631741D+01  0.289723D+02 -0.525837D+01 -0.104293D+01 -0.139108D+00
      3  -0.186735D+02  0.544102D+01 -0.729171D+00  0.604471D+01  0.409588D+01
               121           122           123           124           125 
      1   0.942070D+00 -0.562430D+01 -0.294437D+01 -0.200654D+01  0.710743D+01
      2  -0.231403D+01 -0.400500D+01 -0.206791D+01 -0.206523D+01 -0.718864D+01
      3   0.732399D+01 -0.142688D+02  0.258194D+01 -0.141588D+01  0.848399D+01
               126           127           128           129           130 
      1  -0.691654D+01 -0.214504D+01 -0.198712D+01  0.104111D+01 -0.414240D+00
      2  -0.144422D+02  0.433010D+01  0.114970D+01 -0.110025D+01  0.394102D+00
      3   0.796329D+01 -0.446705D+00 -0.828250D+00  0.785101D+00  0.767543D+00
               131           132           133           134           135 
      1  -0.129648D+01 -0.135050D+00  0.316135D+01  0.541190D+01 -0.521205D+01
      2  -0.460643D-01  0.556204D+00 -0.496237D+01 -0.606538D+00 -0.197267D+01
      3  -0.315352D+00  0.202762D+00  0.100326D+01  0.213921D+01 -0.166450D+01
               136           137           138           139           140 
      1  -0.210507D+01  0.307327D+01 -0.801675D+00  0.106606D+01 -0.129418D+01
      2  -0.758643D+01  0.159079D+01 -0.104438D+01  0.196000D+01 -0.595241D+00
      3   0.586636D+00 -0.155068D+01  0.756480D+00  0.499530D+00  0.118045D+01
               141           142           143           144           145 
      1  -0.422013D+00 -0.218009D+01  0.411785D+01 -0.268051D+01  0.188254D+01
      2   0.214539D+00 -0.467431D+01  0.795267D+00  0.565658D+00  0.399107D+01
      3  -0.391997D+00  0.648163D+00 -0.248883D+01  0.167672D+01  0.287885D+01
               146           147           148           149           150 
      1  -0.940959D+00 -0.252717D+01  0.921965D+00 -0.592645D-03 -0.365999D+01
      2   0.435439D+00 -0.107091D+01  0.394025D+00 -0.898885D-01  0.573824D+00
      3   0.554238D-01 -0.220893D+01  0.152389D+01 -0.277116D+00 -0.635811D+00
               151           152           153           154           155 
      1  -0.175385D+01  0.212032D+01  0.581806D+01  0.280313D+01  0.130309D+01
      2  -0.458742D+01 -0.429723D+00 -0.691511D+00 -0.458325D+01  0.524792D-01
      3  -0.260102D+01  0.615697D+00  0.223293D+01 -0.545868D+01 -0.977003D+00
               156           157           158           159           160 
      1   0.264366D+01 -0.178361D+01  0.260194D+00 -0.365367D+01  0.271418D+01
      2  -0.245234D+00  0.145150D+01  0.189265D+00 -0.114817D+01 -0.249945D+01
      3  -0.245963D+01  0.389641D+01  0.596804D+00  0.992431D+00 -0.306550D+01
               161           162           163           164           165 
      1   0.119497D+01  0.466142D+01 -0.129337D+01 -0.546997D+00  0.130837D+01
      2  -0.439844D+00  0.203223D+01 -0.552321D+01  0.636276D+00  0.489859D+01
      3  -0.145876D+01 -0.166799D+01 -0.123906D+01 -0.374724D+01  0.807705D+00
               166           167           168           169           170 
      1  -0.331393D+00 -0.180523D+00 -0.191008D+01  0.261864D+01  0.111171D+01
      2   0.155570D+01 -0.306450D+01 -0.446467D+01  0.462328D+01 -0.834728D+01
      3  -0.462357D+01  0.202255D+01  0.292799D+01  0.340366D+01  0.559340D+01
               171           172           173           174           175 
      1  -0.693058D+01  0.180275D+01 -0.134883D+01  0.168286D+01 -0.232609D+01
      2  -0.217229D+02  0.629226D+01 -0.229793D+01  0.455257D+01 -0.279395D+01
      3   0.396260D+01  0.219927D+01 -0.686112D+01  0.194366D-01 -0.494524D+01
               176           177           178           179           180 
      1   0.402029D+01 -0.452030D+01  0.158848D+01 -0.207618D+01  0.280932D+01
      2   0.706274D+01 -0.528140D+01  0.393788D+01 -0.610476D+01  0.391390D+01
      3   0.150178D+02 -0.375472D+01 -0.283891D+01 -0.854326D+01  0.351940D+01
               181           182           183           184           185 
      1   0.284931D+00 -0.571567D+00 -0.213562D+00  0.676726D-01  0.488914D+00
      2  -0.365952D+01  0.573660D+00  0.915073D+01 -0.437997D+00 -0.310028D+01
      3   0.585237D+01 -0.844767D+01 -0.898048D+00 -0.208497D+01  0.468474D+01
               186           187           188           189           190 
      1  -0.901896D+00 -0.426353D+00  0.104292D+01 -0.139425D+00  0.330219D+01
      2  -0.217754D+00  0.594041D+01  0.330425D+00 -0.838098D+00  0.225168D+01
      3   0.331468D+01  0.562323D+00  0.408529D+01 -0.510144D+00 -0.879385D+01
               191           192           193           194           195 
      1   0.491682D+01 -0.527922D+00  0.520770D+01  0.702976D+01  0.873526D-01
      2   0.333298D+00  0.621408D+01  0.243054D-01  0.466251D+01  0.709900D+01
      3  -0.112232D+02 -0.351650D+01 -0.100170D+02 -0.183357D+02 -0.888166D+01
               196           197           198           199           200 
      1   0.100778D+01  0.277101D+01  0.697597D+00 -0.233874D+01  0.309476D+01
      2   0.239109D+01  0.292384D+01  0.321966D+01  0.516842D+01 -0.132005D+01
      3  -0.184709D+01 -0.520132D+01 -0.382837D+01  0.265168D+01 -0.599010D+01
               201           202           203           204           205 
      1  -0.179043D+01  0.266667D+01 -0.958933D+01  0.491970D+01 -0.199358D+01
      2   0.467670D+01 -0.111157D+01  0.863099D+01 -0.133899D+02  0.111221D+01
      3   0.310429D+01 -0.329370D+01  0.148790D+02 -0.983642D+01  0.246304D+01
               206           207           208           209           210 
      1   0.741241D+01 -0.537858D+01 -0.197839D+01 -0.277847D+01  0.122988D+01
      2  -0.764957D+01  0.127516D+02  0.200117D+02 -0.322243D+01 -0.812725D+01
      3  -0.863231D+01  0.843728D+01 -0.821997D+01  0.382421D+01  0.397858D+01
               211           212           213           214           215 
      1  -0.168391D+01  0.144996D+00 -0.123623D+00  0.748866D+00  0.192323D+01
      2  -0.235701D+01  0.499979D+01  0.231712D+01 -0.808450D+01  0.118083D+01
      3   0.509604D+01 -0.270928D+01 -0.324538D+01  0.270262D+01 -0.195261D+01
               216           217           218           219           220 
      1  -0.321286D+00 -0.167338D+01  0.153591D+01  0.277114D+01 -0.696922D-01
      2   0.509219D+01 -0.657710D+01  0.236360D+01 -0.139206D+01  0.304632D+01
      3  -0.144122D+01 -0.213526D+02  0.694407D+01  0.264333D+00  0.624491D+01
               221           222           223           224           225 
      1  -0.235064D+01 -0.979916D+00  0.181504D+01  0.532224D+00 -0.475969D-01
      2  -0.233549D-01 -0.421170D+00 -0.305314D+01 -0.252207D+00 -0.154008D+01
      3  -0.706667D+01 -0.662250D+00  0.176922D+01 -0.272883D+01 -0.156081D+01
               226           227           228           229           230 
      1   0.125353D+01 -0.600289D+00 -0.123976D+01 -0.277436D+00  0.180192D+01
      2  -0.421113D+01 -0.191228D+00  0.267858D+01 -0.461521D+00 -0.191750D+01
      3  -0.234579D+01 -0.234507D+01 -0.923143D+00 -0.306267D+00  0.143060D+01
               231           232           233           234           235 
      1   0.187124D+01 -0.130577D+01  0.453847D+01  0.154368D+02 -0.411812D+01
      2  -0.430720D+01 -0.763264D+00  0.946841D+00 -0.304763D+02  0.361980D+01
      3   0.190927D+01 -0.124642D+01  0.480633D+01 -0.170048D+01 -0.670227D+01
               236           237           238           239           240 
      1  -0.432909D+01 -0.314041D+01 -0.530515D+01 -0.822679D+01 -0.394612D+01
      2   0.248114D+01  0.543391D+01  0.352318D+01  0.409849D+01  0.377019D+01
      3  -0.109530D+02  0.122755D+01 -0.631868D+01 -0.206650D+02 -0.429256D-02
               241           242           243           244           245 
      1  -0.223055D+01 -0.176713D+01 -0.100985D+01  0.212792D+00 -0.337886D+00
      2   0.337981D+01  0.285135D+01  0.491737D+00 -0.547613D+01  0.157808D+00
      3  -0.715153D+00 -0.530370D+01 -0.129013D+01 -0.281319D+01 -0.161041D+01
               246           247           248           249           250 
      1  -0.783414D+00 -0.858079D-01  0.833708D-01 -0.850871D+00 -0.119903D+01
      2   0.356151D+01  0.431337D+00 -0.262714D+01  0.398575D+01  0.102435D+01
      3  -0.515098D+00 -0.558983D+00 -0.108663D+01  0.278738D+01 -0.119818D+01
               251           252           253           254           255 
      1   0.272025D+01  0.306873D+01 -0.203436D+01  0.897355D+00 -0.207327D+01
      2   0.347142D+01 -0.180772D+02  0.145396D+02  0.329922D+01  0.604102D+01
      3   0.389979D+01 -0.198504D+01 -0.158575D+02 -0.138703D+02  0.221866D+00
               256           257           258           259           260 
      1  -0.144312D+01 -0.572305D+01 -0.370656D+01 -0.638272D+00  0.104014D+01
      2   0.443389D+01  0.443925D+01  0.587670D+01  0.402930D+01  0.505813D+01
      3  -0.574540D+01  0.204380D+02 -0.331490D+01  0.127014D+01 -0.576566D+01
               261           262           263           264           265 
      1   0.841740D+01  0.881145D+00 -0.138978D+01  0.531703D+00 -0.250023D+01
      2  -0.177908D+02 -0.647422D+00  0.232385D+00  0.100471D+01 -0.853002D-01
      3  -0.451606D+01  0.277972D+01 -0.405812D+01 -0.164338D+01 -0.359872D+01
               266           267           268           269           270 
      1   0.908997D+01 -0.192786D+01  0.399603D+00 -0.115543D+01  0.877067D+00
      2  -0.358881D+01 -0.501316D+01  0.168554D+00 -0.161611D+01 -0.112226D+01
      3   0.272437D+02  0.545597D+01  0.123483D+01 -0.457387D+01  0.153896D+01
               271           272           273           274           275 
      1   0.113710D+01  0.551975D+00 -0.216528D+01  0.794997D+00  0.602067D+00
      2  -0.797143D+01 -0.171504D+00  0.784632D+01 -0.692909D+00 -0.138691D+01
      3   0.149406D+02 -0.603916D+01 -0.116204D+01 -0.361980D+01 -0.253607D+00
               276           277           278           279           280 
      1  -0.116480D+00 -0.194897D+01  0.655966D+00 -0.251889D-01  0.130898D+01
      2  -0.758762D+00  0.435021D+01 -0.290310D+00 -0.472885D+00 -0.110276D+01
      3   0.856235D+00 -0.157635D+01  0.191194D+01  0.187053D+01 -0.458302D+01
               281           282           283           284           285 
      1  -0.684665D+00  0.154050D+01 -0.327042D+00  0.492408D+01 -0.406036D+01
      2  -0.937070D+00 -0.125166D+01 -0.799655D+00  0.702047D-01  0.314971D+01
      3   0.763119D+01 -0.160223D+00  0.483461D+01 -0.298489D+02  0.459773D+00
               286           287           288           289           290 
      1   0.643441D+00 -0.993438D+00  0.460911D+00 -0.177554D+01 -0.560909D+00
      2  -0.156868D+01  0.245332D+01  0.442990D+00  0.428821D+01  0.771342D-01
      3  -0.109550D+01  0.372359D+01 -0.271404D+01  0.154602D+01  0.828712D+00
               291           292           293           294           295 
      1   0.431418D+00 -0.202693D+00 -0.223175D+01  0.989539D+00 -0.251735D+00
      2  -0.179557D+01  0.141644D+01  0.206200D+01 -0.321872D+01 -0.191942D+01
      3   0.106034D+01  0.838671D+00  0.622292D+00 -0.176442D+01  0.150954D+01
               296           297 
      1   0.345183D+01 -0.107939D+02
      2  -0.378270D-01  0.241960D+02
      3  -0.451049D+01  0.932192D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.627347D+00 -0.909134D+01  0.197447D+02  0.117470D+02 -0.203183D+01
      2   0.751803D+01  0.381019D+01 -0.732657D+01 -0.330896D+01  0.243319D+01
      3  -0.689068D+01  0.528115D+01 -0.124181D+02 -0.843806D+01 -0.401359D+00
      4  -0.175528D+01  0.180408D+01 -0.886406D+00  0.772687D+01  0.457520D+01
      5   0.212155D+02  0.703070D-01 -0.779810D+01 -0.925208D+01 -0.367333D+01
      6  -0.399930D+00 -0.275070D+01  0.190041D+01 -0.135044D+01  0.409125D+01
                 6             7             8             9            10 
      1  -0.182118D+02 -0.206379D+02 -0.916936D+01  0.453817D+01  0.481888D+02
      2   0.222204D+01  0.383458D+01  0.223316D+01  0.374699D+01 -0.239379D+02
      3   0.159898D+02  0.168033D+02  0.693621D+01 -0.828516D+01 -0.242509D+02
      4  -0.439383D+01  0.384006D+01 -0.192426D+01 -0.461699D+01 -0.101440D+02
      5  -0.308931D+01  0.101312D+02 -0.406035D+01  0.528670D+01 -0.906920D+01
      6   0.126215D+02 -0.689480D+01  0.509233D+01  0.140645D+02  0.374273D+01
                11            12            13            14            15 
      1   0.762638D+01 -0.182653D+01  0.121449D+02 -0.371311D+01  0.653362D+01
      2  -0.708696D+01  0.377814D+01 -0.131768D+02  0.769330D+01 -0.864226D+00
      3  -0.539422D+00 -0.195162D+01  0.103190D+01 -0.398019D+01 -0.566939D+01
      4   0.136047D+01 -0.314508D+01  0.135734D+02 -0.867133D+01 -0.606108D+00
      5  -0.374852D+01  0.896634D+01  0.145639D+02  0.150702D+00 -0.319279D+01
      6   0.142575D+01 -0.645544D+01 -0.442111D+01  0.481317D+01  0.888726D+01
                16            17            18            19            20 
      1  -0.632332D+01  0.641537D+01 -0.195747D+02 -0.202569D+01  0.517930D+01
      2  -0.307419D+01  0.404244D+01  0.329567D+01 -0.282052D+01 -0.214726D+01
      3   0.939751D+01 -0.104578D+02  0.162790D+02  0.484621D+01 -0.303204D+01
      4   0.152545D+02  0.802946D+00 -0.374538D+01  0.333115D+01 -0.322493D+00
      5  -0.148488D+02 -0.336215D+01 -0.275844D+01 -0.179240D+02  0.278027D+01
      6  -0.513808D+01  0.272853D+01 -0.386624D+01  0.333981D+01  0.435477D+01
                21            22            23            24            25 
      1  -0.235265D+02 -0.914639D+01 -0.535330D+01 -0.523155D+01  0.216824D+02
      2   0.620106D+01 -0.198180D+01  0.621261D+01 -0.561815D-01  0.408428D-01
      3   0.173254D+02  0.111282D+02 -0.859315D+00  0.528773D+01 -0.217232D+02
      4   0.300091D+01  0.333596D+01 -0.822524D+00  0.368660D+01  0.398577D+01
      5  -0.923497D+00  0.130607D+01  0.168002D+01  0.758511D+01  0.135426D+02
      6   0.467870D+01  0.341726D+01  0.217591D+01  0.711353D+01  0.104030D+02
                26            27            28            29            30 
      1  -0.871931D+01  0.740649D+01  0.165920D+02 -0.105142D+01  0.139115D+01
      2   0.194653D+01 -0.283323D+01 -0.255821D+01  0.498981D+01  0.478800D+00
      3   0.677279D+01 -0.457326D+01 -0.140338D+02 -0.393839D+01 -0.186995D+01
      4   0.269210D+01  0.652950D+01  0.243722D+02  0.128341D+01 -0.183092D+01
      5   0.507911D+01 -0.554021D+01  0.444220D+01 -0.133115D+01  0.643987D+01
      6   0.107666D+01  0.100745D+02  0.336444D+01 -0.114741D+01  0.442479D+01
                31            32            33            34            35 
      1  -0.152733D+01 -0.717514D+00  0.759574D+01 -0.766238D+01  0.993093D+01
      2   0.697716D+01  0.448607D+01 -0.241677D+01  0.120073D+01  0.164912D+01
      3  -0.544984D+01 -0.376856D+01 -0.517897D+01  0.646164D+01 -0.115800D+02
      4   0.142731D+02  0.268909D+00  0.171153D+01  0.115040D+02  0.501021D+01
      5   0.118043D+02  0.866508D+00  0.186902D+00 -0.179036D+02  0.207805D+01
      6  -0.812957D+00  0.370418D+01  0.557125D+01 -0.156331D+01  0.231389D+01
                36            37            38            39            40 
      1  -0.185346D+02  0.596282D+01 -0.126189D+02  0.205195D+02  0.361081D+01
      2   0.338555D+01  0.756296D+00  0.112273D+02 -0.119284D+02  0.479143D+01
      3   0.151491D+02 -0.671911D+01  0.139156D+01 -0.859103D+01 -0.840224D+01
      4   0.841508D+00 -0.101979D+02 -0.123423D+01  0.342889D+01  0.146528D+02
      5  -0.505530D+00  0.110552D+02  0.234933D+01 -0.108299D+02 -0.325332D+01
      6  -0.679120D+01 -0.620726D+00 -0.541492D+01  0.614742D+01 -0.502965D+00
                41            42            43            44            45 
      1  -0.103796D+02 -0.727743D+01 -0.171996D+02 -0.474423D+01  0.791945D+01
      2   0.159873D+02 -0.997125D+01  0.156340D+01 -0.242916D+01 -0.879888D+00
      3  -0.560762D+01  0.172487D+02  0.156362D+02  0.717339D+01 -0.703956D+01
      4   0.676722D+01 -0.283125D+01 -0.370569D+01 -0.136110D+01 -0.607296D+01
      5  -0.168922D+01 -0.114957D+01  0.657924D+01 -0.539380D+01  0.810123D+01
      6  -0.646331D+01  0.521992D+01 -0.910651D+01  0.431860D+00  0.826431D+01
                46            47            48            49            50 
      1  -0.551704D+01  0.998838D+01 -0.224461D+02 -0.181142D+01 -0.135548D+02
      2   0.165973D+01 -0.692972D+01  0.678921D+01 -0.752808D+01  0.226033D+02
      3   0.385732D+01 -0.305866D+01  0.156569D+02  0.933950D+01 -0.904848D+01
      4   0.116262D+02 -0.174487D-01  0.492968D+01  0.855869D+01 -0.716491D+01
      5  -0.106351D+02  0.524018D+01 -0.961092D+00  0.926363D+01  0.307685D+01
      6   0.378241D+01  0.391714D+01 -0.486806D+01 -0.111554D+01 -0.556050D+01
                51            52            53            54            55 
      1   0.587373D+01  0.335997D+02 -0.367939D+01  0.110521D+02 -0.276899D+02
      2  -0.117365D+02 -0.100134D+02 -0.578959D-01 -0.653088D+01  0.129874D+02
      3   0.586273D+01 -0.235863D+02  0.373729D+01 -0.452121D+01  0.147025D+02
      4   0.168015D+01 -0.435080D+01 -0.634405D+00  0.720123D+01 -0.799542D+01
      5   0.738968D+01  0.564785D+01  0.670899D+01 -0.484223D+01 -0.499566D+01
      6   0.379233D+01  0.108702D+02 -0.351647D+01  0.685301D+01  0.115699D+01
                56            57            58            59            60 
      1  -0.112719D+02 -0.569553D+01 -0.327217D+02 -0.242384D+02  0.118906D+01
      2   0.827373D+01  0.392577D+00  0.238433D+02  0.552435D+01  0.589402D+01
      3   0.299815D+01  0.530295D+01  0.887844D+01  0.187140D+02 -0.708308D+01
      4  -0.259115D+02  0.113465D+01 -0.453983D+02  0.131028D+02 -0.147204D+02
      5   0.809746D+00 -0.113146D+02 -0.741542D+00 -0.141422D+02  0.137147D+02
      6   0.297223D+00  0.172494D+01  0.583310D+00  0.388135D+01 -0.463852D+01
                61            62            63            64            65 
      1  -0.153937D+02  0.360320D+00 -0.157974D+01 -0.805485D+02  0.292105D+02
      2  -0.106507D+01  0.788931D+01  0.673320D+01  0.438162D+02 -0.134898D+02
      3   0.164588D+02 -0.824963D+01 -0.515346D+01  0.367323D+02 -0.157208D+02
      4  -0.904658D+00 -0.193892D+02  0.235217D+02  0.281928D+02  0.223031D+02
      5  -0.226254D+02  0.203617D+02  0.346695D+02  0.242650D+02 -0.296411D+01
      6   0.101185D+02 -0.514008D+01 -0.110662D+02  0.778789D+00 -0.294799D+01
                66            67            68            69            70 
      1   0.239242D+02  0.608143D+02  0.236136D+02 -0.743447D+01  0.352641D+02
      2  -0.134981D+02 -0.287250D+02 -0.116379D+02  0.761937D+01 -0.146778D+02
      3  -0.104261D+02 -0.320893D+02 -0.119757D+02 -0.184897D+00 -0.205863D+02
      4  -0.172533D+01  0.294955D+02  0.741234D+01  0.223347D+02  0.306803D+01
      5   0.511277D+01 -0.209821D+01  0.235472D+02 -0.190233D+02 -0.882030D+00
      6   0.132835D+01  0.151706D+01  0.613728D+01 -0.399336D+01 -0.264710D+01
                71            72            73            74            75 
      1  -0.335866D+01  0.177831D+01  0.354381D+02 -0.226234D+02 -0.192466D+02
      2   0.715313D+01 -0.408446D+00 -0.183739D+02  0.533797D+01  0.103253D+02
      3  -0.379447D+01 -0.136986D+01 -0.170643D+02  0.172854D+02  0.892127D+01
      4   0.216074D+02 -0.151065D+02 -0.211947D+02 -0.303058D+02 -0.509948D+01
      5  -0.155573D+02 -0.311645D+02 -0.113601D+02 -0.724206D+01 -0.162311D+02
      6  -0.483310D+01 -0.464422D+01 -0.140298D+02 -0.873899D+01 -0.129824D+00
                76            77            78            79            80 
      1  -0.298229D+02 -0.263207D+02 -0.140340D+01 -0.226168D+02  0.113090D+01
      2   0.735442D+01  0.176511D+02 -0.107379D+02  0.107693D+02 -0.107402D+02
      3   0.224684D+02  0.866966D+01  0.121413D+02  0.118475D+02  0.960932D+01
      4  -0.391063D+02 -0.944014D+01 -0.351127D+02 -0.198953D+01 -0.261301D+02
      5  -0.821795D+01 -0.413252D+02  0.200770D+02 -0.907592D+01  0.182239D+02
      6  -0.139401D+02 -0.460528D+01 -0.101948D+02  0.195063D+01 -0.828911D+01
                81            82            83            84            85 
      1  -0.933551D+01  0.338615D+02 -0.211453D+02 -0.124498D+02 -0.314545D+02
      2  -0.121672D+01 -0.339871D+02  0.785951D-01  0.627265D+01  0.247395D+01
      3   0.105522D+02  0.125575D+00  0.210667D+02  0.617720D+01  0.289805D+02
      4   0.159094D+02 -0.182732D+02 -0.374914D+02 -0.813230D+00 -0.397218D+02
      5   0.151966D+02 -0.147443D+02  0.579090D+01 -0.396586D+01  0.410135D+01
      6   0.123506D+02  0.611113D+00  0.431698D+01 -0.270701D+01  0.290058D+01
                86            87            88            89            90 
      1  -0.273457D+02  0.848680D+01 -0.140239D+02  0.243513D+01  0.169897D+01
      2   0.154974D+01 -0.650335D+01  0.176024D+01 -0.727135D+01  0.216206D+02
      3   0.257960D+02 -0.198346D+01  0.122637D+02  0.483621D+01 -0.233196D+02
      4  -0.294348D+02 -0.149994D+02 -0.105784D+02 -0.217255D+02  0.998659D+01
      5  -0.128295D+02  0.187945D+02 -0.260951D+01  0.129087D+02  0.456309D+02
      6  -0.676021D+01  0.101159D+02 -0.103680D+01  0.960241D+01  0.104936D+02
                91            92            93            94            95 
      1   0.107511D+02 -0.568417D+01 -0.215212D+01 -0.117833D+02 -0.155603D+02
      2  -0.832105D+01 -0.110300D+01 -0.539867D+00  0.591025D+01  0.657555D+01
      3  -0.243009D+01  0.678717D+01  0.269198D+01  0.587308D+01  0.898475D+01
      4  -0.212924D+02 -0.129560D+02 -0.710616D+01 -0.363606D+02  0.146378D+02
      5  -0.751263D+01 -0.638836D+01 -0.808383D+01 -0.123989D+02 -0.190942D+01
      6  -0.420014D+01 -0.202808D+01 -0.397119D+01 -0.213615D+01 -0.452911D+01
                96            97            98            99           100 
      1  -0.680684D+01 -0.157057D+02 -0.871190D+01 -0.139741D+01 -0.570449D+01
      2   0.455651D+00  0.381807D+00 -0.784066D+00  0.737258D+01  0.405842D+00
      3   0.635119D+01  0.153239D+02  0.949597D+01 -0.597517D+01  0.529865D+01
      4  -0.142213D+01 -0.179096D+02 -0.121030D+02 -0.152250D+02  0.136622D+02
      5  -0.126276D+02 -0.143195D+02 -0.141591D+02  0.287695D+02 -0.160549D+02
      6  -0.236052D+01 -0.732507D+01 -0.262680D+01  0.849646D+01  0.542225D+01
               101           102           103           104           105 
      1   0.609903D+01 -0.751911D+01  0.194061D+02  0.250503D+01  0.970998D+01
      2   0.128044D+00  0.544119D+01 -0.133935D+02  0.200569D+01 -0.268154D+01
      3  -0.622707D+01  0.207792D+01 -0.601258D+01 -0.451072D+01 -0.702844D+01
      4  -0.393419D+01  0.713522D+01 -0.399175D+01 -0.129444D+02 -0.380931D+01
      5   0.623748D+01 -0.283860D+01  0.782302D+01 -0.347911D+01  0.244110D+02
      6  -0.585003D+01  0.555932D+01 -0.170217D+01 -0.135119D+01 -0.157849D+02
               106           107           108           109           110 
      1  -0.225819D+02  0.991307D+01 -0.402612D+01  0.424739D+02 -0.126816D+02
      2   0.774450D+01  0.359856D+01  0.257073D+01 -0.195578D+02  0.339323D+01
      3   0.148374D+02 -0.135116D+02  0.145539D+01 -0.229161D+02  0.928836D+01
      4   0.200710D+02 -0.195601D+02  0.202144D+02 -0.249696D+02  0.212079D+02
      5  -0.187091D+02  0.180342D+02 -0.227365D+02  0.296460D+02 -0.621497D+01
      6   0.108803D+02 -0.179282D+02  0.589942D+01 -0.112064D+02  0.413602D+01
               111           112           113           114           115 
      1   0.229246D+02 -0.159637D+02  0.321282D+01 -0.163029D+01  0.378852D+02
      2  -0.134889D+02  0.237033D+01  0.910017D+01 -0.163618D+01 -0.179115D+02
      3  -0.943572D+01  0.135934D+02 -0.123130D+02  0.326646D+01 -0.199738D+02
      4  -0.103422D+02  0.257774D+02 -0.245500D+02  0.175191D+02 -0.243823D+02
      5   0.217742D+02 -0.120245D+02  0.167885D+02 -0.196693D+02  0.339708D+02
      6  -0.770786D+01  0.610543D+01 -0.118144D+02  0.181215D+02 -0.113047D+02
               116           117           118           119           120 
      1  -0.326667D+01  0.967024D+01 -0.289239D+00 -0.942097D+01 -0.119408D+02
      2  -0.529401D+01 -0.136840D+02 -0.276327D+01  0.116105D+02  0.739127D+01
      3   0.856068D+01  0.401379D+01  0.305251D+01 -0.218948D+01  0.454949D+01
      4   0.323912D+02 -0.184999D+02  0.120223D+01 -0.518311D+01  0.337848D+01
      5  -0.168057D+02  0.560779D+02 -0.718177D+01 -0.109818D+01  0.560994D+01
      6   0.165947D+02 -0.277420D+02  0.362038D+01  0.544771D+01  0.158905D+01
               121           122           123           124           125 
      1  -0.507442D+01 -0.330662D+01 -0.529558D+01 -0.121515D+02 -0.839536D+01
      2   0.126334D+02 -0.174781D+02  0.150535D+01  0.655319D+01  0.794558D+01
      3  -0.755900D+01  0.207847D+02  0.379024D+01  0.559832D+01  0.449778D+00
      4  -0.800335D+01  0.402084D+02 -0.224069D+01  0.120358D+02 -0.161063D+02
      5   0.164353D+01 -0.164081D+01 -0.476074D+01  0.159700D+02 -0.161010D+02
      6   0.302105D+01  0.874355D+00  0.103789D+02 -0.580383D+01  0.202645D+02
               126           127           128           129           130 
      1  -0.103373D+02 -0.215989D+00  0.578292D+00  0.282429D+01 -0.215272D+01
      2  -0.630588D+01 -0.522729D+01 -0.147951D+01  0.554511D+01 -0.653564D+00
      3   0.166432D+02  0.544328D+01  0.901220D+00 -0.836940D+01  0.280628D+01
      4  -0.142427D+02  0.138183D+01  0.240554D+01 -0.617589D+00  0.139924D+01
      5  -0.315735D+02 -0.887425D+01 -0.228031D+01  0.114110D+02 -0.225630D+01
      6   0.227011D+02  0.474097D+00 -0.153937D+01 -0.125266D+01 -0.112127D+01
               131           132           133           134           135 
      1  -0.290033D+01  0.707360D+01  0.310353D+01  0.372066D+01 -0.220187D+02
      2  -0.595089D+00  0.314017D+01  0.702497D+01  0.235794D+01 -0.155633D+02
      3   0.349542D+01 -0.102138D+02 -0.101285D+02 -0.607860D+01  0.375820D+02
      4   0.100063D+01 -0.135222D+01 -0.205851D+01 -0.350680D+01  0.239556D+01
      5  -0.247883D+01  0.366658D+01  0.121795D+02  0.408266D+01 -0.194523D+02
      6  -0.266735D+01  0.174542D+01  0.554151D+00  0.533743D+01 -0.101896D+01
               136           137           138           139           140 
      1   0.291717D+01  0.385626D+00 -0.185496D+01  0.745150D+00 -0.183808D+01
      2  -0.526307D+01  0.832967D+00 -0.418815D+01  0.211273D+01 -0.396220D+00
      3   0.234591D+01 -0.121859D+01  0.604311D+01 -0.285788D+01  0.223430D+01
      4  -0.157809D+01  0.356619D+01 -0.102135D+01  0.234787D+01 -0.277112D+01
      5   0.106064D+02 -0.291534D+01  0.950490D+01 -0.449970D+01  0.326950D+01
      6  -0.459428D+00  0.185879D+01 -0.941681D+00  0.624203D+00 -0.291648D+01
               141           142           143           144           145 
      1   0.497108D+01 -0.260967D+01  0.385899D+01 -0.120984D+02 -0.288087D+01
      2   0.241046D+01 -0.547283D+01  0.120364D+01 -0.833667D+01 -0.252301D+01
      3  -0.738153D+01  0.808251D+01 -0.506263D+01  0.204351D+02  0.540388D+01
      4   0.106542D+01 -0.196903D+01  0.306419D+01 -0.205022D+01  0.517750D+01
      5  -0.593469D+01  0.119069D+02 -0.428005D+01  0.147555D+02 -0.851391D+01
      6   0.219375D+01 -0.198360D+01  0.491506D+01 -0.342712D+01 -0.569349D+01
               146           147           148           149           150 
      1  -0.171416D+01  0.561097D+01 -0.234088D+01 -0.472495D+01  0.861018D+01
      2   0.363746D+00  0.285861D+01 -0.444220D+00  0.133558D+01  0.369020D+00
      3   0.135041D+01 -0.846958D+01  0.278510D+01  0.338937D+01 -0.897920D+01
      4   0.356186D+01 -0.534233D+01  0.216970D+01  0.175920D+01 -0.265414D+01
      5  -0.326965D+01  0.112217D+02 -0.287423D+01 -0.241619D+01  0.349753D+01
      6  -0.349815D+01  0.624262D+01 -0.277256D+01 -0.550901D+01  0.889248D+01
               151           152           153           154           155 
      1   0.709781D+01  0.108449D+02 -0.285096D+02  0.295636D+01  0.251872D+01
      2   0.192187D+01 -0.331213D+01 -0.533039D+01 -0.215797D+01 -0.317307D+01
      3  -0.901968D+01 -0.753280D+01  0.338399D+02 -0.798395D+00  0.654343D+00
      4  -0.590281D+01 -0.502900D+01  0.789546D+01 -0.105842D+02  0.806997D+01
      5   0.103816D+02  0.490512D+01 -0.162359D+02  0.152679D+02 -0.576863D+01
      6   0.833865D+01  0.129644D+02 -0.237306D+02 -0.846622D+01  0.609971D+01
               156           157           158           159           160 
      1  -0.119389D+01 -0.256652D-01 -0.394330D+01  0.479592D+01 -0.349492D+01
      2  -0.143890D+01  0.550025D+00  0.250365D+01 -0.479817D+00 -0.150539D+01
      3   0.263278D+01 -0.524360D+00  0.143964D+01 -0.431610D+01  0.500032D+01
      4  -0.812839D+01  0.567192D+01 -0.612229D+01  0.608064D+01 -0.867991D+01
      5   0.133727D+02 -0.751192D+01  0.529988D+01 -0.863276D+01  0.145578D+02
      6  -0.845467D+01  0.563157D+01 -0.667514D+01  0.889148D+01 -0.101899D+02
               161           162           163           164           165 
      1   0.803625D+01 -0.133003D+02  0.801301D+01 -0.207172D+01 -0.792500D+01
      2  -0.481267D+01 -0.128987D+01 -0.708085D+01  0.561205D+00  0.590959D+01
      3  -0.322358D+01  0.145902D+02 -0.932155D+00  0.151051D+01  0.201541D+01
      4   0.782588D+01 -0.104051D+02 -0.531763D+01  0.928590D+01  0.596808D+01
      5  -0.770769D+01  0.191803D+02 -0.145269D+02  0.424807D+01  0.148069D+02
      6   0.120848D+02 -0.180184D+02  0.425285D+01 -0.175755D+01 -0.308057D+01
               166           167           168           169           170 
      1   0.424791D+01  0.941831D+00 -0.262137D+01 -0.150896D+02 -0.451444D+01
      2  -0.317235D+01  0.511574D+00  0.109721D+01  0.132764D+02  0.788426D+00
      3  -0.107556D+01 -0.145340D+01  0.152417D+01  0.181313D+01  0.372601D+01
      4   0.109679D+02 -0.908572D+01 -0.856468D+01  0.119676D+02 -0.141960D+02
      5   0.423915D+01 -0.864609D+01 -0.908549D+01  0.266564D+02 -0.175677D+02
      6  -0.308300D+01  0.592940D+01  0.890768D+01 -0.893744D+01  0.116597D+02
               171           172           173           174           175 
      1  -0.476240D+01  0.188189D+02 -0.927566D+01  0.593708D+01 -0.110485D+02
      2  -0.115777D+02 -0.351342D+01 -0.743893D+00 -0.154202D+01 -0.351857D+01
      3   0.163401D+02 -0.153055D+02  0.100196D+02 -0.439506D+01  0.145671D+02
      4  -0.207094D+02 -0.212090D+02  0.240936D+02 -0.499372D+01  0.315118D+02
      5  -0.481966D+02  0.805034D+01 -0.295407D+01  0.706450D+01 -0.418362D+01
      6   0.190213D+02 -0.251969D+01  0.224394D+00 -0.170583D+01  0.157170D+01
               176           177           178           179           180 
      1   0.339883D+01 -0.424587D+00  0.172169D+02 -0.201198D+00  0.210074D+01
      2   0.174967D+02 -0.405868D+01 -0.449337D+01 -0.699102D+01  0.371908D+00
      3  -0.208955D+02  0.448327D+01 -0.127236D+02  0.719222D+01 -0.247265D+01
      4  -0.450982D+02  0.109363D+02 -0.140050D+02  0.217759D+02 -0.127403D+02
      5   0.975699D+01 -0.847998D+01  0.928659D+01 -0.110968D+02  0.699362D+01
      6  -0.343848D+01  0.523009D+01 -0.383939D+01  0.571177D+01 -0.373826D+01
               181           182           183           184           185 
      1   0.135861D+03 -0.171410D+02 -0.171764D+02 -0.258613D+02  0.133685D+02
      2  -0.692706D+02  0.893243D+01  0.866383D+01  0.128540D+02 -0.507526D+01
      3  -0.665906D+02  0.820861D+01  0.851254D+01  0.130073D+02 -0.829326D+01
      4  -0.137611D+02  0.139006D+02  0.181938D+01  0.164151D+02 -0.869704D+01
      5  -0.206918D+02  0.254513D+01  0.171520D+02  0.254611D+01 -0.636991D+01
      6   0.970051D+00 -0.126281D+01  0.115635D+01 -0.149965D+01  0.236161D-01
               186           187           188           189           190 
      1   0.298088D+01 -0.204053D+02  0.209908D+01  0.163146D+02  0.334590D+02
      2  -0.210624D+01  0.115430D+02 -0.196992D+01 -0.100895D+02 -0.150008D+02
      3  -0.874638D+00  0.886232D+01 -0.129166D+00 -0.622513D+01 -0.184582D+02
      4  -0.583885D+01  0.578868D+00 -0.565949D+01 -0.550858D+00  0.318963D+02
      5  -0.101631D+01  0.225457D+02 -0.817765D+00 -0.526249D+01  0.262437D+02
      6   0.230192D+01  0.992420D-01  0.244762D+01  0.792238D+00  0.117278D+02
               191           192           193           194           195 
      1   0.200169D+02  0.130606D+02  0.257370D+02  0.153840D+02  0.628876D+01
      2  -0.550388D+01 -0.934838D+01 -0.758643D+01  0.154255D+01 -0.371971D+01
      3  -0.145131D+02 -0.371217D+01 -0.181506D+02 -0.169265D+02 -0.256905D+01
      4   0.299335D+02  0.128365D+02  0.377720D+02  0.449618D+02  0.220995D+02
      5   0.159826D+02  0.214891D+02  0.235645D+02  0.257737D+02  0.211161D+02
      6   0.108999D+02  0.764007D+01  0.142535D+02  0.190316D+02  0.139796D+02
               196           197           198           199           200 
      1   0.802007D+01  0.237422D+01  0.677711D+01  0.103458D+02 -0.643927D+01
      2  -0.648759D+01 -0.205664D+01 -0.568303D+01 -0.857911D+01  0.552763D+01
      3  -0.153248D+01 -0.317577D+00 -0.109408D+01 -0.176665D+01  0.911636D+00
      4   0.969419D+01  0.120547D+02  0.114149D+02 -0.717890D+01  0.126307D+02
      5   0.176702D+02  0.119408D+02  0.140858D+02  0.160852D+02 -0.785836D+01
      6   0.681037D+01  0.970355D+01  0.709851D+01 -0.162603D+01  0.429521D+01
               201           202           203           204           205 
      1   0.114634D+02 -0.124574D+02  0.660197D+01 -0.378324D+01  0.105708D+02
      2  -0.101873D+02  0.107229D+02 -0.826452D+01  0.137390D+02 -0.108117D+02
      3  -0.127612D+01  0.173450D+01  0.166255D+01 -0.995574D+01  0.240868D+00
      4  -0.565036D+01  0.136294D+02 -0.281345D+02  0.211175D+02 -0.574957D+01
      5   0.172707D+02 -0.159168D+02  0.238257D+02 -0.316608D+02  0.181487D+02
      6  -0.183006D+01  0.515706D+01 -0.126521D+02  0.932914D+01 -0.243390D+01
               206           207           208           209           210 
      1  -0.148147D+01  0.251503D+01 -0.470318D+02  0.852845D+01  0.132755D+02
      2   0.908246D+01 -0.168131D+02  0.230120D+02 -0.488444D+01 -0.157334D+01
      3  -0.760098D+01  0.142981D+02  0.240198D+02 -0.364400D+01 -0.117022D+02
      4   0.162882D+02 -0.169336D+02 -0.487421D+01 -0.362192D+01 -0.164451D+01
      5  -0.185430D+02  0.328462D+02 -0.105730D+02 -0.170481D+01 -0.827400D+01
      6   0.936533D+01 -0.761320D+01  0.515811D+01 -0.547516D+01 -0.654892D+01
               211           212           213           214           215 
      1   0.632708D+01 -0.821669D+01 -0.581719D+01  0.937909D+01 -0.379144D+01
      2  -0.309051D+01  0.488720D+01  0.340893D+01 -0.169204D+01  0.181177D+01
      3  -0.323657D+01  0.332949D+01  0.240826D+01 -0.768705D+01  0.197967D+01
      4   0.859831D+00  0.263082D+01  0.509556D+01 -0.745144D-01  0.351563D+01
      5   0.164892D-01  0.415207D+01  0.622944D+00  0.751457D+00 -0.111520D+01
      6  -0.248952D+01  0.369672D+01  0.492086D+01 -0.354638D+01  0.408171D+01
               216           217           218           219           220 
      1  -0.102159D+02 -0.381510D+02  0.160668D+02  0.111807D+01  0.161968D+02
      2   0.124963D+01  0.267613D+02 -0.148029D+02 -0.180783D+01 -0.996398D+01
      3   0.896629D+01  0.113897D+02 -0.126396D+01  0.689759D+00 -0.623285D+01
      4  -0.116698D+01 -0.896818D+01 -0.236930D+01  0.283633D+01  0.942102D+01
      5   0.278168D+01  0.102547D+02 -0.390146D+00 -0.587553D+01 -0.407678D+01
      6   0.222969D+01 -0.209136D+00  0.297391D+01 -0.474843D+01  0.148055D-01
               221           222           223           224           225 
      1  -0.678362D+01 -0.731437D+00  0.519993D+01 -0.315685D+01 -0.557654D+01
      2   0.112183D+02  0.863079D+00 -0.341861D+01  0.398157D+01  0.536293D+00
      3  -0.443464D+01 -0.131642D+00 -0.178132D+01 -0.824717D+00  0.504025D+01
      4   0.837883D+01 -0.196703D+00  0.114195D+01  0.362757D+01 -0.138452D+01
      5   0.113057D+01  0.260220D+00 -0.158031D+01  0.851588D-01 -0.238823D+01
      6  -0.195219D+01  0.126438D+01 -0.243229D+01  0.129836D+01 -0.251887D+00
               226           227           228           229           230 
      1   0.659012D+00  0.217615D+01 -0.784146D+01 -0.112356D+01  0.507963D+00
      2  -0.235090D+01  0.266521D+00  0.622029D+01  0.238510D+01 -0.171231D+01
      3   0.169189D+01 -0.244267D+01  0.162117D+01 -0.126154D+01  0.120435D+01
      4   0.302006D+01  0.625990D+01 -0.265819D+01  0.406874D+01 -0.292772D+00
      5  -0.973584D+01 -0.124794D+01  0.125827D+02  0.115765D+01 -0.521920D+01
      6  -0.247858D+01 -0.128275D+01  0.169100D+01 -0.779582D+00  0.532482D-01
               231           232           233           234           235 
      1  -0.225429D-01 -0.893554D+01  0.210088D+01 -0.127836D+02  0.257906D+02
      2  -0.461761D+01  0.848310D+01 -0.390497D+01 -0.236504D+02 -0.635282D+00
      3   0.464015D+01  0.452439D+00  0.180409D+01  0.364340D+02 -0.251553D+02
      4  -0.442062D+01 -0.531571D+01 -0.927704D+01  0.413156D+01  0.379716D+02
      5  -0.910339D+01  0.163250D+02  0.362335D+01 -0.656651D+02 -0.324538D+01
      6   0.320049D+01  0.414864D+01  0.788734D+01 -0.235749D+02 -0.278044D+01
               236           237           238           239           240 
      1   0.184840D+02  0.220321D+01  0.188751D+02  0.105498D+02 -0.162864D+00
      2   0.559163D+01  0.394565D-01  0.683885D+01  0.251093D+02  0.132545D+01
      3  -0.240757D+02 -0.224267D+01 -0.257139D+02 -0.356591D+02 -0.116259D+01
      4   0.418775D+02 -0.102019D+01  0.444825D+02  0.640771D+02 -0.561473D+00
      5  -0.495850D+01  0.935132D+01 -0.510367D+01 -0.395000D+01  0.711860D+01
      6  -0.451470D+01  0.534787D+01 -0.437978D+01 -0.736146D+01  0.610137D+01
               241           242           243           244           245 
      1   0.709690D+01  0.186417D+01  0.336722D+01  0.730141D+00  0.335182D+01
      2   0.112364D+00  0.518626D+01 -0.125480D+01 -0.391750D+01 -0.150472D+01
      3  -0.720926D+01 -0.705043D+01 -0.211242D+01  0.318736D+01 -0.184711D+01
      4   0.844303D+01  0.133080D+02  0.705320D+01  0.589822D+01  0.513932D+01
      5   0.684187D+01  0.552668D+01 -0.823049D+00 -0.112845D+02 -0.128970D+01
      6   0.397599D+01  0.424687D+01  0.619660D+00 -0.346913D+01 -0.375883D+00
               246           247           248           249           250 
      1  -0.635475D+01  0.414312D+01  0.329044D-01  0.213152D+01 -0.816217D+01
      2   0.496926D+01 -0.175986D+01 -0.609048D-01 -0.437785D+00  0.843713D+01
      3   0.138549D+01 -0.238326D+01  0.280004D-01 -0.169374D+01 -0.274960D+00
      4  -0.232137D+01  0.860324D+01  0.432212D+01 -0.698278D+01 -0.431126D+01
      5   0.116156D+02 -0.196951D+01 -0.700669D+01  0.821790D+01  0.164734D+02
      6   0.201850D+01 -0.162423D+01 -0.385243D+01  0.659193D+01  0.308065D+01
               251           252           253           254           255 
      1   0.221047D+01 -0.569720D+01 -0.784534D+02 -0.799100D+01  0.933638D+01
      2   0.530187D+00 -0.126328D+02  0.402365D+02  0.126662D+02 -0.582459D+01
      3  -0.274065D+01  0.183300D+02  0.382170D+02 -0.467517D+01 -0.351180D+01
      4  -0.104222D+02  0.879934D+01 -0.138569D+02  0.234732D+02  0.816669D+01
      5   0.736547D+01 -0.394753D+02  0.116786D+02  0.491517D+01  0.956946D+01
      6   0.615289D+01 -0.113299D+02  0.842997D+01  0.374266D+01  0.379883D+01
               256           257           258           259           260 
      1   0.142340D+02  0.339685D+02  0.570749D+00  0.269222D+02  0.187575D+01
      2  -0.618976D+00 -0.348316D+02 -0.344092D+00 -0.973752D+01  0.314259D+01
      3  -0.136151D+02  0.863114D+00 -0.226657D+00 -0.171847D+02 -0.501834D+01
      4   0.325588D+02 -0.161499D+02  0.104504D+02  0.201570D+02  0.175630D+02
      5   0.106566D+02  0.131834D+02  0.123392D+02  0.150184D+02  0.110858D+02
      6   0.648436D+01  0.377468D+01  0.636402D+01  0.741979D+01  0.692826D+01
               261           262           263           264           265 
      1   0.124907D+02  0.305701D+01 -0.578102D+01 -0.125132D+01 -0.323793D+01
      2   0.597228D+01  0.361220D+01 -0.325461D+01 -0.329896D+00 -0.776014D+01
      3  -0.184630D+02 -0.666920D+01  0.903563D+01  0.158121D+01  0.109981D+02
      4   0.143221D+02 -0.119717D+02  0.182714D+02  0.375547D+01  0.225957D+02
      5  -0.259778D+02 -0.431555D+01  0.504139D+01  0.324934D+01  0.595493D+01
      6  -0.795200D+01  0.321526D+01 -0.378917D+01 -0.148681D+01 -0.510623D+01
               266           267           268           269           270 
      1  -0.141040D+02 -0.395430D+01  0.325199D+00  0.424976D+00 -0.187216D+01
      2   0.406003D+02  0.570259D+01  0.236500D+01 -0.752005D+01  0.176780D+01
      3  -0.264963D+02 -0.174829D+01 -0.269020D+01  0.709507D+01  0.104361D+00
      4  -0.597100D+02 -0.117355D+02 -0.360489D+01  0.940942D+01 -0.311005D+01
      5  -0.138209D+02 -0.105990D+02  0.165680D+01 -0.294092D+01 -0.289811D+01
      6   0.177590D+02  0.876343D+01 -0.936993D+00  0.366813D+01  0.212967D+01
               271           272           273           274           275 
      1   0.124059D+03  0.109047D+02 -0.490014D+01 -0.494547D+01  0.672353D+01
      2  -0.585106D+02 -0.138659D+01  0.196703D+01  0.529401D+01 -0.320753D+00
      3  -0.655488D+02 -0.951812D+01  0.293311D+01 -0.348541D+00 -0.640277D+01
      4   0.439866D+02  0.187111D+02 -0.173896D+00  0.116033D+02  0.531947D+01
      5   0.294754D+01  0.125144D+01  0.129516D+02 -0.944273D+00 -0.182325D+01
      6  -0.117678D+01  0.121384D+01  0.389217D+01  0.220711D-01 -0.245339D+00
               276           277           278           279           280 
      1   0.232415D+00 -0.172913D+02 -0.149622D+01  0.936388D+01  0.349484D+00
      2  -0.327905D+00  0.738796D+01 -0.727487D+00 -0.664101D+01  0.297357D+01
      3   0.954896D-01  0.990339D+01  0.222371D+01 -0.272287D+01 -0.332305D+01
      4  -0.206786D+01 -0.789778D+01 -0.547907D+01  0.219916D+01  0.311884D+01
      5  -0.153643D+01  0.130920D+02  0.206398D+00 -0.108432D+01 -0.232349D+01
      6  -0.102587D-01  0.351158D+01  0.711474D+00 -0.379618D+00 -0.915858D+00
               281           282           283           284           285 
      1   0.128795D+02 -0.131381D+01  0.108469D+02 -0.307605D+02 -0.380489D+00
      2  -0.138257D+02  0.922282D+00 -0.427255D+01  0.516613D+02 -0.664023D+00
      3   0.946218D+00  0.391527D+00 -0.657440D+01 -0.209008D+02  0.104451D+01
      4  -0.695998D+01 -0.190777D+01  0.991020D+01  0.511897D+02 -0.514934D-01
      5  -0.208861D+00 -0.258586D+01  0.130437D+01 -0.241980D+01  0.600965D+01
      6  -0.142173D+01 -0.227849D+01  0.441410D-01  0.453923D+01  0.670294D+01
               286           287           288           289           290 
      1  -0.520757D+01  0.135599D+01 -0.544451D+01  0.534177D+01  0.495425D+00
      2   0.165052D+01 -0.483960D+01  0.429479D+01 -0.563492D+01 -0.151932D+01
      3   0.355705D+01  0.348361D+01  0.114972D+01  0.293153D+00  0.102389D+01
      4  -0.446092D+01 -0.821172D+01  0.348035D+01 -0.849570D+00 -0.281836D+01
      5   0.449550D-01  0.462103D+01  0.432036D+00  0.350781D+01 -0.126529D+01
      6  -0.519026D+00  0.627131D+01 -0.483253D+00  0.204817D+00 -0.140864D+01
               291           292           293           294           295 
      1   0.555272D+01 -0.582080D+01 -0.569165D+01 -0.629951D+00  0.109931D+02
      2  -0.227920D+01  0.233068D+01  0.303549D+01  0.315806D+01 -0.682571D+01
      3  -0.327353D+01  0.349012D+01  0.265616D+01 -0.252811D+01 -0.416738D+01
      4   0.201254D+00 -0.343084D+01 -0.265738D+01  0.248849D+01  0.610893D+01
      5   0.849316D+00 -0.262217D+01  0.233793D+01 -0.544619D+01  0.105441D+02
      6  -0.972884D+00 -0.807167D+00  0.319356D-01  0.146319D+01  0.234290D+01
               296           297 
      1  -0.104088D+01 -0.110508D+02
      2   0.339320D+01 -0.133190D+02
      3  -0.235233D+01  0.243699D+02
      4   0.977897D+01  0.664547D+00
      5   0.153678D+01  0.434761D+02
      6   0.480652D+01  0.167024D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.690903D+00      0.175610D+01      0.585772D+01
   x          0.471325D+00      0.119799D+01      0.399606D+01
   y         -0.177071D+00     -0.450069D+00     -0.150127D+01
   z          0.473124D+00      0.120256D+01      0.401131D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.158259D+03      0.234516D+02      0.260934D+02
   aniso      0.638714D+02      0.946477D+01      0.105310D+02
   xx         0.199037D+03      0.294943D+02      0.328168D+02
   yx        -0.554041D+00     -0.821005D-01     -0.913491D-01
   yy         0.130507D+03      0.193392D+02      0.215177D+02
   zx         0.166351D+01      0.246507D+00      0.274276D+00
   zy        -0.744604D+01     -0.110339D+01     -0.122769D+01
   zz         0.145234D+03      0.215214D+02      0.239458D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.165022D+03      0.244538D+02      0.272085D+02
   aniso      0.664514D+02      0.984708D+01      0.109563D+02
   xx         0.207369D+03      0.307289D+02      0.341905D+02
   yx        -0.113454D+01     -0.168121D+00     -0.187060D+00
   yy         0.136014D+03      0.201551D+02      0.224256D+02
   zx         0.170367D+01      0.252458D+00      0.280897D+00
   zy        -0.783703D+01     -0.116133D+01     -0.129215D+01
   zz         0.151684D+03      0.224772D+02      0.250093D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          2.57539356         -1.13510741         -0.52031291
     6          2.34280323         -1.35288217          2.09805333
     6          0.46762951         -1.09563667         -2.07820159
     6         -1.95548370         -1.27828699         -1.06060019
     6         -2.20255524         -1.50369757          1.54702002
     6         -0.08618841         -1.55023781          3.09842196
     6          4.63374799         -1.32775249          3.78610954
     6          5.47042762          1.32136745          4.70012994
     6          3.46172337          2.60223762          6.33203510
     6          6.26842276          3.03366791          2.51617427
     6         -4.27369158         -1.28965107         -2.75652900
     6         -4.29924668          1.12351271         -4.30287860
     8         -3.45515123          1.36749758         -6.40114854
     8         -5.35424189          3.06278025         -3.01473519
     1          4.43962886         -0.99837495         -1.35378487
     1          0.70611260         -0.90927761         -4.10169322
     1         -4.06913867         -1.65264702          2.37467544
     1         -0.32824966         -1.74485431          5.12138427
     1          6.22018682         -2.19654782          2.78875823
     1          4.26378091         -2.49616621          5.44873262
     1          7.13508521          0.99955440          5.88816628
     1          4.16801212          4.38863957          7.08468419
     1          2.91589097          1.41412909          7.92940852
     1          1.76213425          3.01039287          5.23640812
     1          4.67174946          3.45745334          1.28068281
     1          7.74237172          2.15642394          1.36787527
     1          7.00374661          4.82470624          3.22892772
     1         -5.93714869         -1.24710584         -1.54015755
     6         -4.37270206         -3.61550697         -4.47052394
     1         -5.21318096          4.55038174         -4.07712860
     1         -6.09134851         -3.62048436         -5.60879636
     1         -4.33272892         -5.32525177         -3.32273727
     1         -2.76346359         -3.64533376         -5.75173339

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.690903D+00      0.175610D+01      0.585772D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.690903D+00      0.175610D+01      0.585772D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.158259D+03      0.234516D+02      0.260934D+02
   aniso      0.638714D+02      0.946477D+01      0.105310D+02
   xx         0.172588D+03      0.255750D+02      0.284560D+02
   yx         0.705549D+01      0.104552D+01      0.116329D+01
   yy         0.128523D+03      0.190451D+02      0.211905D+02
   zx         0.252401D+02      0.374019D+01      0.416153D+01
   zy         0.308542D+01      0.457212D+00      0.508717D+00
   zz         0.173667D+03      0.257348D+02      0.286338D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.165022D+03      0.244538D+02      0.272085D+02
   aniso      0.664514D+02      0.984708D+01      0.109563D+02
   xx         0.179943D+03      0.266647D+02      0.296685D+02
   yx         0.694317D+01      0.102887D+01      0.114477D+01
   yy         0.133815D+03      0.198294D+02      0.220631D+02
   zx         0.261658D+02      0.387736D+01      0.431415D+01
   zy         0.286423D+01      0.424436D+00      0.472248D+00
   zz         0.181308D+03      0.268671D+02      0.298937D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F16-26\Freq\RwB97XD\Gen\C13H18O2\PIERPA\08-Sep-2021\0\\#P
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 ,-0.939652\C,-2.702771,-0.516689,0.368988\C,-3.138269,0.918833,0.14513
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 867,-0.080316,-2.228675\H,-1.260188,0.132647,-1.864576\H,-0.792008,-1.
 385962,2.105337\H,1.627267,-1.599939,1.73772\H,3.268482,-1.153685,-1.5
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 7518,1.669696\H,2.441497,1.841134,-0.753494\H,3.577595,1.336297,-2.006
 833\H,4.11306,2.400281,-0.703913\H,-2.898442,-0.751368,1.416045\C,-3.4
 87164,-1.472476,-0.531817\H,-3.218631,2.58075,1.021627\H,-4.556603,-1.
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 023e-09\RMSF=4.878e-06\ZeroPoint=0.2845324\Thermal=0.30006\Dipole=0.47
 13246,-0.1770708,0.4731237\DipoleDeriv=-0.1097271,-0.0072732,-0.045153
 ,0.0128122,-0.0876413,-0.0684767,-0.081669,-0.052636,0.0669567,0.30057
 4,0.0457458,-0.0250921,0.0142792,-0.1099179,-0.0158886,-0.0516413,-0.0
 178627,-0.0695112,-0.0958801,-0.0094495,0.0353222,-0.0231971,-0.090784
 5,-0.0448834,0.0636361,-0.0419955,-0.0116313,0.30639,-0.1142535,-0.000
 2911,0.0056883,-0.1365923,-0.0042315,-0.0563353,0.0131355,-0.0701009,-
 0.0763589,0.0161221,-0.0497302,0.0140686,-0.0884602,-0.0543373,-0.0157
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 TIMES HAVE CHANGED. IN THE BIBLE WHEN AN ASS
 SPOKE IT WAS CONSIDERED A MIRACLE.
 Job cpu time:       0 days 15 hours 15 minutes 15.3 seconds.
 Elapsed time:       0 days  1 hours 54 minutes 30.0 seconds.
 File lengths (MBytes):  RWF=    604 Int=      0 D2E=      0 Chk=     24 Scr=      2
 Normal termination of Gaussian 16 at Wed Sep  8 14:24:11 2021.
